Organoheterocyclic compounds
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1,2-Bis((2R,5R)-2,5-diisopropylphospholano)benzene(cyclooctadiene)rhodium(I) tetrafluoroborate, 97%, Thermo Scientific™
CAS: 569650-64-2 Molecular Formula: C34H56BF4P2Rh Molecular Weight (g/mol): 716.48 MDL Number: MFCD07369039 InChI Key: AXLKBYDAACXFBH-KFORCWLUNA-N Synonym: 1,2-bis 2r,5r-2,5-diisopropylphospholano benzene 1,5-cyclooctadiene rhodium i tetrafluoroborate,r,r-i-pr-duphos-rh,+-1,2-bis 2r,5r-2,5-di-i-propylphospholano benzene 1,5-cyclooctadiene rhodium i tetrafluoroborate PubChem CID: 12964416 IUPAC Name: λ¹-rhodium(1+) (1Z,5Z)-cycloocta-1,5-diene (2S,5S)-1-{2-[(2S,5S)-2,5-bis(propan-2-yl)phospholan-1-yl]phenyl}-2,5-bis(propan-2-yl)phospholane tetrafluoroboranuide SMILES: [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1C1=CC=CC=C1P1[C@@H](CC[C@H]1C(C)C)C(C)C
| PubChem CID | 12964416 |
|---|---|
| CAS | 569650-64-2 |
| Molecular Weight (g/mol) | 716.48 |
| MDL Number | MFCD07369039 |
| SMILES | [Rh+].F[B-](F)(F)F.C1C\C=C/CC\C=C/1.CC(C)[C@@H]1CC[C@@H](C(C)C)P1C1=CC=CC=C1P1[C@@H](CC[C@H]1C(C)C)C(C)C |
| Synonym | 1,2-bis 2r,5r-2,5-diisopropylphospholano benzene 1,5-cyclooctadiene rhodium i tetrafluoroborate,r,r-i-pr-duphos-rh,+-1,2-bis 2r,5r-2,5-di-i-propylphospholano benzene 1,5-cyclooctadiene rhodium i tetrafluoroborate |
| IUPAC Name | λ¹-rhodium(1+) (1Z,5Z)-cycloocta-1,5-diene (2S,5S)-1-{2-[(2S,5S)-2,5-bis(propan-2-yl)phospholan-1-yl]phenyl}-2,5-bis(propan-2-yl)phospholane tetrafluoroboranuide |
| InChI Key | AXLKBYDAACXFBH-KFORCWLUNA-N |
| Molecular Formula | C34H56BF4P2Rh |
2,1,3-Benzoxadiazol-4-amine, 97%, Thermo Scientific™
CAS: 767-63-5 Molecular Formula: C6H5N3O Molecular Weight (g/mol): 135.126 MDL Number: MFCD00168448 InChI Key: IPCMVRZVNJHUHR-UHFFFAOYSA-N Synonym: 4-aminobenzofurazan,benzo 1,2,5 oxadiazol-4-ylamine,2,1,3-benzooxadiazol-4-ylamine,benzo c 1,2,5-oxadiazole-4-ylamine,benzofurazan-4-amine,benzofurazane-4-amine,acmc-209p5u,2,1,3-benzoxadiazol-7-amine,2,1,3-benzoxadiazol-4-ylamine,benzo c 1,2,5 oxadiazol-4-amine PubChem CID: 584570 IUPAC Name: 2,1,3-benzoxadiazol-4-amine SMILES: C1=CC2=NON=C2C(=C1)N
| PubChem CID | 584570 |
|---|---|
| CAS | 767-63-5 |
| Molecular Weight (g/mol) | 135.126 |
| MDL Number | MFCD00168448 |
| SMILES | C1=CC2=NON=C2C(=C1)N |
| Synonym | 4-aminobenzofurazan,benzo 1,2,5 oxadiazol-4-ylamine,2,1,3-benzooxadiazol-4-ylamine,benzo c 1,2,5-oxadiazole-4-ylamine,benzofurazan-4-amine,benzofurazane-4-amine,acmc-209p5u,2,1,3-benzoxadiazol-7-amine,2,1,3-benzoxadiazol-4-ylamine,benzo c 1,2,5 oxadiazol-4-amine |
| IUPAC Name | 2,1,3-benzoxadiazol-4-amine |
| InChI Key | IPCMVRZVNJHUHR-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3O |
Trimethylboroxine, 3.5M (50 wt.%) solution in THF, AcroSeal™
CAS: 823-96-1 Molecular Formula: C3H9B3O3 Molecular Weight (g/mol): 125.53 MDL Number: MFCD00013354 InChI Key: GBBSAMQTQCPOBF-UHFFFAOYSA-N Synonym: trimethylboroxine,2,4,6-trimethylboroxin,trimethylboroxin,boroxin, trimethyl,trimethyl-1,3,5,2,4,6-trioxatriborinane,trimethyboroxine,trimethyl boroxin,trimethylboroxaine,trimethyl boroxine,trimethyl-boroxine PubChem CID: 574072 IUPAC Name: 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane SMILES: CB1OB(C)OB(C)O1
| PubChem CID | 574072 |
|---|---|
| CAS | 823-96-1 |
| Molecular Weight (g/mol) | 125.53 |
| MDL Number | MFCD00013354 |
| SMILES | CB1OB(C)OB(C)O1 |
| Synonym | trimethylboroxine,2,4,6-trimethylboroxin,trimethylboroxin,boroxin, trimethyl,trimethyl-1,3,5,2,4,6-trioxatriborinane,trimethyboroxine,trimethyl boroxin,trimethylboroxaine,trimethyl boroxine,trimethyl-boroxine |
| IUPAC Name | 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane |
| InChI Key | GBBSAMQTQCPOBF-UHFFFAOYSA-N |
| Molecular Formula | C3H9B3O3 |
3-Fluoro-5-iodopyridine, 95%
CAS: 757950-13-3 Molecular Formula: C5H3FIN Molecular Weight (g/mol): 222.989 MDL Number: MFCD08457780 InChI Key: MMJSSIRVEYQWMU-UHFFFAOYSA-N Synonym: 3-fluoro-5-iodo-pyridine,pyridine, 3-fluoro-5-iodo,3-fluoro-5-iodo-pyridin,pyridine,3-fluoro-5-iodo,3-fluoranyl-5-iodanyl-pyridine,3-iodo-5-fluoropyridine,5-fluoro-3-iodopyridine PubChem CID: 18454778 IUPAC Name: 3-fluoro-5-iodopyridine SMILES: C1=C(C=NC=C1I)F
| PubChem CID | 18454778 |
|---|---|
| CAS | 757950-13-3 |
| Molecular Weight (g/mol) | 222.989 |
| MDL Number | MFCD08457780 |
| SMILES | C1=C(C=NC=C1I)F |
| Synonym | 3-fluoro-5-iodo-pyridine,pyridine, 3-fluoro-5-iodo,3-fluoro-5-iodo-pyridin,pyridine,3-fluoro-5-iodo,3-fluoranyl-5-iodanyl-pyridine,3-iodo-5-fluoropyridine,5-fluoro-3-iodopyridine |
| IUPAC Name | 3-fluoro-5-iodopyridine |
| InChI Key | MMJSSIRVEYQWMU-UHFFFAOYSA-N |
| Molecular Formula | C5H3FIN |
5-Methyl-2-pyridinol, 97%, Thermo Scientific™
CAS: 91914-06-6 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD03092888 InChI Key: SOHMZGMHXUQHGE-UHFFFAOYSA-N Synonym: 2-hydroxy-5-methylpyridine,5-methylpyridin-2-ol,2-hydroxy-5-picoline,5-methyl-2-pyridinol,5-methylpyridin-2 1h-one,5-methyl-2-pyridone,5-methyl-2 1h-pyridinone,2 1h-pyridinone, 5-methyl,2-pyridinol, 5-methyl,6-hydroxy-3-picoline PubChem CID: 70482 IUPAC Name: 5-methyl-1H-pyridin-2-one SMILES: CC1=CNC(=O)C=C1
| PubChem CID | 70482 |
|---|---|
| CAS | 91914-06-6 |
| Molecular Weight (g/mol) | 109.128 |
| MDL Number | MFCD03092888 |
| SMILES | CC1=CNC(=O)C=C1 |
| Synonym | 2-hydroxy-5-methylpyridine,5-methylpyridin-2-ol,2-hydroxy-5-picoline,5-methyl-2-pyridinol,5-methylpyridin-2 1h-one,5-methyl-2-pyridone,5-methyl-2 1h-pyridinone,2 1h-pyridinone, 5-methyl,2-pyridinol, 5-methyl,6-hydroxy-3-picoline |
| IUPAC Name | 5-methyl-1H-pyridin-2-one |
| InChI Key | SOHMZGMHXUQHGE-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
2-Methyl-8-nitroquinoline, 98%
CAS: 881-07-2 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00006764 InChI Key: UHPGVDHXHDPYQP-UHFFFAOYSA-N PubChem CID: 13433 IUPAC Name: 2-methyl-8-nitroquinoline SMILES: CC1=CC=C2C=CC=C(C2=N1)[N+]([O-])=O
| PubChem CID | 13433 |
|---|---|
| CAS | 881-07-2 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD00006764 |
| SMILES | CC1=CC=C2C=CC=C(C2=N1)[N+]([O-])=O |
| IUPAC Name | 2-methyl-8-nitroquinoline |
| InChI Key | UHPGVDHXHDPYQP-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
4-[(Ethoxycarbonyl)methyl]phenylboronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 859169-20-3 Molecular Formula: C16H23BO4 Molecular Weight (g/mol): 290.17 MDL Number: MFCD08704684 InChI Key: RPRBNRDIESZHFL-UHFFFAOYSA-N Synonym: ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetate,4-ethoxycarbonylmethylphenyl boronic acid pinacol ester,4-ethoxycarbonylmethylphenyl boronic acid, pinacol ester,4-ethoxycarbonylmethyl phenylboronic acid, pinacol ester,4-ethoxycarbonylmethylphenylboronic acid pinacol ester,ethyl 2-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetate,4-ethoxycarbonylmethylphenylboronic acid, pinacol ester,4-ethoxycarbonylmethyl phenylboronic acid pinacol ester,4-2-ethoxy-2-oxoethyl phenyl boronic acid pinacol ester PubChem CID: 46737998 IUPAC Name: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 46737998 |
|---|---|
| CAS | 859169-20-3 |
| Molecular Weight (g/mol) | 290.17 |
| MDL Number | MFCD08704684 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetate,4-ethoxycarbonylmethylphenyl boronic acid pinacol ester,4-ethoxycarbonylmethylphenyl boronic acid, pinacol ester,4-ethoxycarbonylmethyl phenylboronic acid, pinacol ester,4-ethoxycarbonylmethylphenylboronic acid pinacol ester,ethyl 2-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl acetate,4-ethoxycarbonylmethylphenylboronic acid, pinacol ester,4-ethoxycarbonylmethyl phenylboronic acid pinacol ester,4-2-ethoxy-2-oxoethyl phenyl boronic acid pinacol ester |
| IUPAC Name | ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
| InChI Key | RPRBNRDIESZHFL-UHFFFAOYSA-N |
| Molecular Formula | C16H23BO4 |
2-(1-Imidazolyl)acetonitrile, 95%
CAS: 98873-55-3 Molecular Formula: C5H5N3 Molecular Weight (g/mol): 107.116 MDL Number: MFCD06421433 InChI Key: ZPGCVVBPGQJSPX-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole PubChem CID: 11804695 IUPAC Name: 2-imidazol-1-ylacetonitrile SMILES: C1=CN(C=N1)CC#N
| PubChem CID | 11804695 |
|---|---|
| CAS | 98873-55-3 |
| Molecular Weight (g/mol) | 107.116 |
| MDL Number | MFCD06421433 |
| SMILES | C1=CN(C=N1)CC#N |
| Synonym | 2-1h-imidazol-1-yl acetonitrile,imidazol-1-yl-acetonitrile,1-cyanomethyl imidazole,1h-imidazole-1-acetonitrile,1h-imidazol-1-ylacetonitrile,2-1-imidazolyl acetonitrile,1-imidazolyl acetonitrile,2-imidazol-1-yl acetonitrile,1h-imidazol-1-yl acetonitrile,1-cyanomethylimidazole |
| IUPAC Name | 2-imidazol-1-ylacetonitrile |
| InChI Key | ZPGCVVBPGQJSPX-UHFFFAOYSA-N |
| Molecular Formula | C5H5N3 |
3,4-(Methylenedioxy)phenylacetic acid, 98%
CAS: 2861-28-1 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00014576 InChI Key: ODVLMCWNGKLROU-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-acetic acid,3,4-methylenedioxy phenylacetic acid,2-benzo d 1,3 dioxol-5-yl acetic acid,3,4-methylenedioxyphenylacetic acid,homopiperonylic acid,benzo-1,3-dioxole-5-acetic acid,1,3-benzodioxol-5-yl acetic acid,2-2h-1,3-benzodioxol-5-yl acetic acid,2-1,3-benzodioxol-5-yl acetic acid,1,3-benzodioxol-5-ylacetic acid PubChem CID: 76115 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetic acid SMILES: C1OC2=C(O1)C=C(C=C2)CC(=O)O
| PubChem CID | 76115 |
|---|---|
| CAS | 2861-28-1 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00014576 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(=O)O |
| Synonym | 1,3-benzodioxole-5-acetic acid,3,4-methylenedioxy phenylacetic acid,2-benzo d 1,3 dioxol-5-yl acetic acid,3,4-methylenedioxyphenylacetic acid,homopiperonylic acid,benzo-1,3-dioxole-5-acetic acid,1,3-benzodioxol-5-yl acetic acid,2-2h-1,3-benzodioxol-5-yl acetic acid,2-1,3-benzodioxol-5-yl acetic acid,1,3-benzodioxol-5-ylacetic acid |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)acetic acid |
| InChI Key | ODVLMCWNGKLROU-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
2-Chloro-5-picoline, 94%, Thermo Scientific™
CAS: 18368-64-4 Molecular Formula: C6H6ClN Molecular Weight (g/mol): 127.57 MDL Number: MFCD00792460 InChI Key: VXLYOURCUVQYLN-UHFFFAOYSA-N Synonym: 2-chloro-5-picoline,6-chloro-3-picoline,pyridine, 2-chloro-5-methyl,2-chloro-5-methyl-pyridine,2-chloro-5-methyl pyridine,3-picoline, 6-chloro,pubchem1193,acmc-1bvpj,5-methyl-2-chloropyridine PubChem CID: 581393 IUPAC Name: 2-chloro-5-methylpyridine SMILES: CC1=CC=C(Cl)N=C1
| PubChem CID | 581393 |
|---|---|
| CAS | 18368-64-4 |
| Molecular Weight (g/mol) | 127.57 |
| MDL Number | MFCD00792460 |
| SMILES | CC1=CC=C(Cl)N=C1 |
| Synonym | 2-chloro-5-picoline,6-chloro-3-picoline,pyridine, 2-chloro-5-methyl,2-chloro-5-methyl-pyridine,2-chloro-5-methyl pyridine,3-picoline, 6-chloro,pubchem1193,acmc-1bvpj,5-methyl-2-chloropyridine |
| IUPAC Name | 2-chloro-5-methylpyridine |
| InChI Key | VXLYOURCUVQYLN-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClN |
4-Methyl-5-vinylthiazole, 98+%
CAS: 1759-28-0 Molecular Formula: C6H7NS Molecular Weight (g/mol): 125.19 MDL Number: MFCD00005337 InChI Key: QUAMMXIRDIIGDJ-UHFFFAOYSA-N Synonym: 4-methyl-5-vinylthiazole,thiazole, 5-ethenyl-4-methyl,4-methyl-5-vinyl thiazole,5-ethenyl-4-methylthiazole,thiazole, 4-methyl-5-vinyl,vinylsulfurol,vinyl sulfurol,fema no. 3313,5-vinyl-4-methylthiazole,4-methyl-5-vinyl-thiazole PubChem CID: 15654 IUPAC Name: 5-ethenyl-4-methyl-1,3-thiazole SMILES: CC1=C(SC=N1)C=C
| PubChem CID | 15654 |
|---|---|
| CAS | 1759-28-0 |
| Molecular Weight (g/mol) | 125.19 |
| MDL Number | MFCD00005337 |
| SMILES | CC1=C(SC=N1)C=C |
| Synonym | 4-methyl-5-vinylthiazole,thiazole, 5-ethenyl-4-methyl,4-methyl-5-vinyl thiazole,5-ethenyl-4-methylthiazole,thiazole, 4-methyl-5-vinyl,vinylsulfurol,vinyl sulfurol,fema no. 3313,5-vinyl-4-methylthiazole,4-methyl-5-vinyl-thiazole |
| IUPAC Name | 5-ethenyl-4-methyl-1,3-thiazole |
| InChI Key | QUAMMXIRDIIGDJ-UHFFFAOYSA-N |
| Molecular Formula | C6H7NS |
3,6-Dibromo-2-chloropyridine, 95%, Thermo Scientific Chemicals
CAS: 942206-18-0 Molecular Formula: C5H2Br2ClN Molecular Weight (g/mol): 271.336 MDL Number: MFCD09037464 InChI Key: CVZSNXGMWIGPBF-UHFFFAOYSA-N Synonym: 2-chloro-3,6-dibromopyridine,3,6-dibromo-2-chloro-pyridine PubChem CID: 42553063 IUPAC Name: 3,6-dibromo-2-chloropyridine SMILES: C1=CC(=NC(=C1Br)Cl)Br
| PubChem CID | 42553063 |
|---|---|
| CAS | 942206-18-0 |
| Molecular Weight (g/mol) | 271.336 |
| MDL Number | MFCD09037464 |
| SMILES | C1=CC(=NC(=C1Br)Cl)Br |
| Synonym | 2-chloro-3,6-dibromopyridine,3,6-dibromo-2-chloro-pyridine |
| IUPAC Name | 3,6-dibromo-2-chloropyridine |
| InChI Key | CVZSNXGMWIGPBF-UHFFFAOYSA-N |
| Molecular Formula | C5H2Br2ClN |
(3-Pyrrolidin-1-ylphenyl)methylamine, ≥90%, Thermo Scientific™
CAS: 175696-70-5 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.26 MDL Number: MFCD07772827 InChI Key: BXTWTBYGOKOWQX-UHFFFAOYSA-N Synonym: 3-pyrrolidin-1-ylphenyl methylamine,3-pyrrolidin-1-yl phenyl methanamine,3-pyrrolidinobenzylamine,1-3-pyrrolidin-1-yl phenyl methanamine,3-pyrrolidin-1-ylphenyl methanamine,3-pyrrolizinobenzylamine,3-pyrrolidin-1-yl benzylamine,3-pyrrolidinylphenyl methylamine,3-pyrrolidin-1-yl phenyl methylamine PubChem CID: 7162061 IUPAC Name: (3-pyrrolidin-1-ylphenyl)methanamine SMILES: NCC1=CC(=CC=C1)N1CCCC1
| PubChem CID | 7162061 |
|---|---|
| CAS | 175696-70-5 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD07772827 |
| SMILES | NCC1=CC(=CC=C1)N1CCCC1 |
| Synonym | 3-pyrrolidin-1-ylphenyl methylamine,3-pyrrolidin-1-yl phenyl methanamine,3-pyrrolidinobenzylamine,1-3-pyrrolidin-1-yl phenyl methanamine,3-pyrrolidin-1-ylphenyl methanamine,3-pyrrolizinobenzylamine,3-pyrrolidin-1-yl benzylamine,3-pyrrolidinylphenyl methylamine,3-pyrrolidin-1-yl phenyl methylamine |
| IUPAC Name | (3-pyrrolidin-1-ylphenyl)methanamine |
| InChI Key | BXTWTBYGOKOWQX-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
4,5-Dimethylthiazole, 98%
CAS: 3581-91-7 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.178 MDL Number: MFCD00005336 InChI Key: UWSONZCNXUSTKW-UHFFFAOYSA-N Synonym: 4,5-dimethylthiazole,thiazole, 4,5-dimethyl,4,5-dimethyl thiazole,4,5-dimethyl-thiazole,unii-u3rp5i088g,fema no. 3274,pubchem9938,acmc-209ijb,dimethylthiazole, 4,5,4-27-00-00986 beilstein handbook reference PubChem CID: 62510 IUPAC Name: 4,5-dimethyl-1,3-thiazole SMILES: CC1=C(SC=N1)C
| PubChem CID | 62510 |
|---|---|
| CAS | 3581-91-7 |
| Molecular Weight (g/mol) | 113.178 |
| MDL Number | MFCD00005336 |
| SMILES | CC1=C(SC=N1)C |
| Synonym | 4,5-dimethylthiazole,thiazole, 4,5-dimethyl,4,5-dimethyl thiazole,4,5-dimethyl-thiazole,unii-u3rp5i088g,fema no. 3274,pubchem9938,acmc-209ijb,dimethylthiazole, 4,5,4-27-00-00986 beilstein handbook reference |
| IUPAC Name | 4,5-dimethyl-1,3-thiazole |
| InChI Key | UWSONZCNXUSTKW-UHFFFAOYSA-N |
| Molecular Formula | C5H7NS |
2-Picoline N-oxide, 98%
CAS: 931-19-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00006199 InChI Key: CFZKDDTWZYUZKS-UHFFFAOYSA-N Synonym: 2-picoline-n-oxide,2-methylpyridine 1-oxide,2-methylpyridine n-oxide,picoline n-oxide,2-picoline n-oxide,methylpyridine 1-oxide,alpha-picoline n-oxide,pyridine, 2-methyl-, 1-oxide,2-picoline, 1-oxide,picoline 1-oxide PubChem CID: 13602 ChEBI: CHEBI:35578 IUPAC Name: 2-methyl-1-oxidopyridin-1-ium SMILES: CC1=CC=CC=[N+]1[O-]
| PubChem CID | 13602 |
|---|---|
| CAS | 931-19-1 |
| Molecular Weight (g/mol) | 109.128 |
| ChEBI | CHEBI:35578 |
| MDL Number | MFCD00006199 |
| SMILES | CC1=CC=CC=[N+]1[O-] |
| Synonym | 2-picoline-n-oxide,2-methylpyridine 1-oxide,2-methylpyridine n-oxide,picoline n-oxide,2-picoline n-oxide,methylpyridine 1-oxide,alpha-picoline n-oxide,pyridine, 2-methyl-, 1-oxide,2-picoline, 1-oxide,picoline 1-oxide |
| IUPAC Name | 2-methyl-1-oxidopyridin-1-ium |
| InChI Key | CFZKDDTWZYUZKS-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |