Organoheterocyclic compounds
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Dimethyl 4-chloropyridine-2,6-dicarboxylate, 97%
CAS: 5371-70-0 Molecular Formula: C9H8ClNO4 Molecular Weight (g/mol): 229.616 MDL Number: MFCD02612781 InChI Key: NFXKYKHKNUFOKB-UHFFFAOYSA-N Synonym: dimethyl 4-chloro-2,6-pyridinedicarboxylate,methyl 4-chloropyridine-2,6-dicarboxylate,2,6-dimethyl 4-chloropyridine-2,6-dicarboxylate,2,6-pyridinedicarboxylic acid, 4-chloro-, dimethyl ester,4-chloropyridine-2,6-dicarboxylic acid,dimethyl ester,methyl 4-chloro-6-methoxycarbonyl pyridine-2-carboxylate,4-chloro-2,6-pyridinedicarboxylic acid dimethyl ester,pubchem20951,pych37,ksc496e3d PubChem CID: 237845 IUPAC Name: dimethyl 4-chloropyridine-2,6-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=N1)C(=O)OC)Cl
| PubChem CID | 237845 |
|---|---|
| CAS | 5371-70-0 |
| Molecular Weight (g/mol) | 229.616 |
| MDL Number | MFCD02612781 |
| SMILES | COC(=O)C1=CC(=CC(=N1)C(=O)OC)Cl |
| Synonym | dimethyl 4-chloro-2,6-pyridinedicarboxylate,methyl 4-chloropyridine-2,6-dicarboxylate,2,6-dimethyl 4-chloropyridine-2,6-dicarboxylate,2,6-pyridinedicarboxylic acid, 4-chloro-, dimethyl ester,4-chloropyridine-2,6-dicarboxylic acid,dimethyl ester,methyl 4-chloro-6-methoxycarbonyl pyridine-2-carboxylate,4-chloro-2,6-pyridinedicarboxylic acid dimethyl ester,pubchem20951,pych37,ksc496e3d |
| IUPAC Name | dimethyl 4-chloropyridine-2,6-dicarboxylate |
| InChI Key | NFXKYKHKNUFOKB-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClNO4 |
4-(4-Fluorophenyl)imidazole, 97%
CAS: 65020-70-4 Molecular Formula: C9H7FN2 Molecular Weight (g/mol): 162.167 MDL Number: MFCD00297041 InChI Key: QYDAFWKRBZYBOB-UHFFFAOYSA-N Synonym: 4-4-fluorophenyl-1h-imidazole,5-4-fluorophenyl-1h-imidazole,1h-imidazole,5-4-fluorophenyl,4-4-fluoro-phenyl-1h-imidazole,regid_for_cid_657876,5-4-fluorophenyl-3h-imidazole,4-4-fluorophenyl-1h-imidazole, 9,1h-imidazole, 5-4-fluorophenyl,3sq PubChem CID: 657876 IUPAC Name: 5-(4-fluorophenyl)-1H-imidazole SMILES: C1=CC(=CC=C1C2=CN=CN2)F
| PubChem CID | 657876 |
|---|---|
| CAS | 65020-70-4 |
| Molecular Weight (g/mol) | 162.167 |
| MDL Number | MFCD00297041 |
| SMILES | C1=CC(=CC=C1C2=CN=CN2)F |
| Synonym | 4-4-fluorophenyl-1h-imidazole,5-4-fluorophenyl-1h-imidazole,1h-imidazole,5-4-fluorophenyl,4-4-fluoro-phenyl-1h-imidazole,regid_for_cid_657876,5-4-fluorophenyl-3h-imidazole,4-4-fluorophenyl-1h-imidazole, 9,1h-imidazole, 5-4-fluorophenyl,3sq |
| IUPAC Name | 5-(4-fluorophenyl)-1H-imidazole |
| InChI Key | QYDAFWKRBZYBOB-UHFFFAOYSA-N |
| Molecular Formula | C9H7FN2 |
Biotin, Powder, USP, 97.5-102%, Spectrum™ Chemical
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CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N IUPAC Name: 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12
| CAS | 58-85-5 |
|---|---|
| Molecular Weight (g/mol) | 244.31 |
| MDL Number | MFCD00005541 |
| SMILES | OC(=O)CCCCC1SCC2NC(=O)NC12 |
| IUPAC Name | 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid |
| InChI Key | YBJHBAHKTGYVGT-UHFFFAOYNA-N |
| Molecular Formula | C10H16N2O3S |
2-Hydroxy-4-methyl-5-nitropyridine, 98%, Thermo Scientific™
CAS: 21901-41-7 Molecular Formula: C6H6N2O3 Molecular Weight (g/mol): 154.13 MDL Number: MFCD00010690 InChI Key: AIEHUZHKFUNHCJ-UHFFFAOYSA-N Synonym: 2-hydroxy-4-methyl-5-nitropyridine,4-methyl-5-nitropyridin-2-ol,2-hydroxy-5-nitro-4-picoline,2-hydroxy-5-nitro-4-methyl pyridine,2-hydroxy-5-nitro-4-methylpyridine,4-methyl-5-nitropyridin-2 1h-one,4-methyl-5-nitro-2-pyridinol,4-methyl-5-nitro-1,2-dihydropyridin-2-one,4-methyl-5-nitro-pyridin-2-ol,2 1h-pyridinone, 4-methyl-5-nitro PubChem CID: 345371 IUPAC Name: 4-methyl-5-nitro-1H-pyridin-2-one SMILES: CC1=CC(=O)NC=C1[N+](=O)[O-]
| PubChem CID | 345371 |
|---|---|
| CAS | 21901-41-7 |
| Molecular Weight (g/mol) | 154.13 |
| MDL Number | MFCD00010690 |
| SMILES | CC1=CC(=O)NC=C1[N+](=O)[O-] |
| Synonym | 2-hydroxy-4-methyl-5-nitropyridine,4-methyl-5-nitropyridin-2-ol,2-hydroxy-5-nitro-4-picoline,2-hydroxy-5-nitro-4-methyl pyridine,2-hydroxy-5-nitro-4-methylpyridine,4-methyl-5-nitropyridin-2 1h-one,4-methyl-5-nitro-2-pyridinol,4-methyl-5-nitro-1,2-dihydropyridin-2-one,4-methyl-5-nitro-pyridin-2-ol,2 1h-pyridinone, 4-methyl-5-nitro |
| IUPAC Name | 4-methyl-5-nitro-1H-pyridin-2-one |
| InChI Key | AIEHUZHKFUNHCJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O3 |
2-Bromopyridine-4-boronic acid, 95%, Thermo Scientific Chemicals
CAS: 458532-94-0 Molecular Formula: C5H5BBrNO2 Molecular Weight (g/mol): 201.81 MDL Number: MFCD06798244 InChI Key: DFIKFQMGZNTFLI-UHFFFAOYSA-N Synonym: 2-bromopyridine-4-boronic acid,2-bromopyridin-4-yl boronic acid,boronic acid, 2-bromo-4-pyridinyl-9ci,2-bromo-4-pyridyl boronic acid,2-bromo-4-pyridineboronic acid,boronicacid, 2-bromo-4-pyridinyl-9ci,acmc-209k4o,ksc234s1f,2-bromo-4-pyridinyl boronic acid,2-bromanylpyridin-4-yl boronic acid PubChem CID: 12060162 IUPAC Name: (2-bromopyridin-4-yl)boronic acid SMILES: OB(O)C1=CC(Br)=NC=C1
| PubChem CID | 12060162 |
|---|---|
| CAS | 458532-94-0 |
| Molecular Weight (g/mol) | 201.81 |
| MDL Number | MFCD06798244 |
| SMILES | OB(O)C1=CC(Br)=NC=C1 |
| Synonym | 2-bromopyridine-4-boronic acid,2-bromopyridin-4-yl boronic acid,boronic acid, 2-bromo-4-pyridinyl-9ci,2-bromo-4-pyridyl boronic acid,2-bromo-4-pyridineboronic acid,boronicacid, 2-bromo-4-pyridinyl-9ci,acmc-209k4o,ksc234s1f,2-bromo-4-pyridinyl boronic acid,2-bromanylpyridin-4-yl boronic acid |
| IUPAC Name | (2-bromopyridin-4-yl)boronic acid |
| InChI Key | DFIKFQMGZNTFLI-UHFFFAOYSA-N |
| Molecular Formula | C5H5BBrNO2 |
Povidone K-30, USP, Spectrum™ Chemical
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CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| CAS | 9003-39-8 |
|---|---|
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
2,4-Lutidine, 98+%
CAS: 108-47-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00006337 InChI Key: JYYNAJVZFGKDEQ-UHFFFAOYSA-N Synonym: 2,4-lutidine,pyridine, 2,4-dimethyl,alpha,gamma-dimethylpyridine,2,4-lutidene,unii-83903uj0ww,2,4-dimethyl-pyridine,.alpha.,.gamma.-dimethylpyridine,2,4-dimethyl pyridine,2.4-lutidine,2,4 lutidine PubChem CID: 7936 IUPAC Name: 2,4-dimethylpyridine SMILES: CC1=CC=NC(C)=C1
| PubChem CID | 7936 |
|---|---|
| CAS | 108-47-4 |
| Molecular Weight (g/mol) | 107.16 |
| MDL Number | MFCD00006337 |
| SMILES | CC1=CC=NC(C)=C1 |
| Synonym | 2,4-lutidine,pyridine, 2,4-dimethyl,alpha,gamma-dimethylpyridine,2,4-lutidene,unii-83903uj0ww,2,4-dimethyl-pyridine,.alpha.,.gamma.-dimethylpyridine,2,4-dimethyl pyridine,2.4-lutidine,2,4 lutidine |
| IUPAC Name | 2,4-dimethylpyridine |
| InChI Key | JYYNAJVZFGKDEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Citraconic anhydride, 98%
CAS: 616-02-4 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.084 MDL Number: MFCD00005522 InChI Key: AYKYXWQEBUNJCN-UHFFFAOYSA-N Synonym: citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx PubChem CID: 12012 IUPAC Name: 3-methylfuran-2,5-dione SMILES: CC1=CC(=O)OC1=O
| PubChem CID | 12012 |
|---|---|
| CAS | 616-02-4 |
| Molecular Weight (g/mol) | 112.084 |
| MDL Number | MFCD00005522 |
| SMILES | CC1=CC(=O)OC1=O |
| Synonym | citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx |
| IUPAC Name | 3-methylfuran-2,5-dione |
| InChI Key | AYKYXWQEBUNJCN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O3 |
5-Methylpyridine-2-boronic acid, 95%
CAS: 372963-49-0 Molecular Formula: C6H8BNO2 Molecular Weight (g/mol): 136.945 MDL Number: MFCD00674179 InChI Key: VDRIXWWGBDNWCM-UHFFFAOYSA-N Synonym: 5-methylpyridine-2-boronic acid,5-methylpyridin-2-yl boronic acid,5-methyl-2-pyridineboronic acid,5-picoline-2-boronic acid,boronic acid, 5-methyl-2-pyridinyl,5-methyl-2-pyridinyl-boronic acid,pubchem6938,acmc-209is4,5-methyl-2-pyridyl boronic acid,5-methyl-2-pyridinyl boronic acid PubChem CID: 2762743 IUPAC Name: (5-methylpyridin-2-yl)boronic acid SMILES: B(C1=NC=C(C=C1)C)(O)O
| PubChem CID | 2762743 |
|---|---|
| CAS | 372963-49-0 |
| Molecular Weight (g/mol) | 136.945 |
| MDL Number | MFCD00674179 |
| SMILES | B(C1=NC=C(C=C1)C)(O)O |
| Synonym | 5-methylpyridine-2-boronic acid,5-methylpyridin-2-yl boronic acid,5-methyl-2-pyridineboronic acid,5-picoline-2-boronic acid,boronic acid, 5-methyl-2-pyridinyl,5-methyl-2-pyridinyl-boronic acid,pubchem6938,acmc-209is4,5-methyl-2-pyridyl boronic acid,5-methyl-2-pyridinyl boronic acid |
| IUPAC Name | (5-methylpyridin-2-yl)boronic acid |
| InChI Key | VDRIXWWGBDNWCM-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO2 |
Thermo Scientific Chemicals Chelidamic acid monohydrate, 98%
CAS: 199926-39-1 Molecular Formula: C7H5NO5·H2O Molecular Weight (g/mol): 201.14 MDL Number: MFCD03818117 InChI Key: SNGPHFVJWBKEDG-UHFFFAOYSA-N Synonym: 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid hydrate,chelidamic acid monohydrate,4-oxo-1h-pyridine-2,6-dicarboxylic acid hydrate,1,4-dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate,4-hydroxypyridine-2,6-dicarboxylic acid hydrate,chelidamic acid hydrate, powder,4-hydroxypyridine-2,6-dicarboxylic acid monohydrate,chelidamic acid hydrate dried material, t , ∼1 mol/mol water PubChem CID: 12302905 IUPAC Name: 4-oxo-1H-pyridine-2,6-dicarboxylic acid;hydrate SMILES: C1=C(NC(=CC1=O)C(=O)O)C(=O)O.O
| PubChem CID | 12302905 |
|---|---|
| CAS | 199926-39-1 |
| Molecular Weight (g/mol) | 201.14 |
| MDL Number | MFCD03818117 |
| SMILES | C1=C(NC(=CC1=O)C(=O)O)C(=O)O.O |
| Synonym | 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid hydrate,chelidamic acid monohydrate,4-oxo-1h-pyridine-2,6-dicarboxylic acid hydrate,1,4-dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate,4-hydroxypyridine-2,6-dicarboxylic acid hydrate,chelidamic acid hydrate, powder,4-hydroxypyridine-2,6-dicarboxylic acid monohydrate,chelidamic acid hydrate dried material, t , ∼1 mol/mol water |
| IUPAC Name | 4-oxo-1H-pyridine-2,6-dicarboxylic acid;hydrate |
| InChI Key | SNGPHFVJWBKEDG-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO5·H2O |
5-Methoxyindole-3-acetic acid, 98+%
CAS: 3471-31-6 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.213 MDL Number: MFCD00005638 InChI Key: COCNDHOPIHDTHK-UHFFFAOYSA-N Synonym: 5-methoxyindole-3-acetic acid,2-5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindoleacetic acid,methoxyindoleacetic acid,5-methoxy-3-indoleacetic acid,5-methoxyindol-3-ylacetic acid,5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindole-3-aceticacid,5-methoxyindoleacetate,1h-indole-3-acetic acid, 5-methoxy PubChem CID: 18986 ChEBI: CHEBI:28281 IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)acetic acid SMILES: COC1=CC2=C(C=C1)NC=C2CC(=O)O
| PubChem CID | 18986 |
|---|---|
| CAS | 3471-31-6 |
| Molecular Weight (g/mol) | 205.213 |
| ChEBI | CHEBI:28281 |
| MDL Number | MFCD00005638 |
| SMILES | COC1=CC2=C(C=C1)NC=C2CC(=O)O |
| Synonym | 5-methoxyindole-3-acetic acid,2-5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindoleacetic acid,methoxyindoleacetic acid,5-methoxy-3-indoleacetic acid,5-methoxyindol-3-ylacetic acid,5-methoxy-1h-indol-3-yl acetic acid,5-methoxyindole-3-aceticacid,5-methoxyindoleacetate,1h-indole-3-acetic acid, 5-methoxy |
| IUPAC Name | 2-(5-methoxy-1H-indol-3-yl)acetic acid |
| InChI Key | COCNDHOPIHDTHK-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
2-Aminopyridine-4-methanol, 97%
CAS: 105250-17-7 Molecular Formula: C6H9N2O Molecular Weight (g/mol): 125.15 MDL Number: MFCD03791261 InChI Key: ZRJJXXDQIQFZBW-UHFFFAOYSA-O Synonym: 2-aminopyridin-4-yl methanol,2-amino-pyridin-4-yl-methanol,2-aminopyridine-4-methanol,2-amino-4-pyridinylmethanol,4-pyridinemethanol, 2-amino,2-aminopyridin-4-yl-methanol,2-amino-4-pyridinemethanol,2-amino-4-pyridinyl methanol,2-amino-4-hydroxymethylpyridine,2-amino-4-pyridyl methan-1-ol PubChem CID: 1515296 IUPAC Name: (2-aminopyridin-4-yl)methanol SMILES: NC1=CC(CO)=CC=[NH+]1
| PubChem CID | 1515296 |
|---|---|
| CAS | 105250-17-7 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD03791261 |
| SMILES | NC1=CC(CO)=CC=[NH+]1 |
| Synonym | 2-aminopyridin-4-yl methanol,2-amino-pyridin-4-yl-methanol,2-aminopyridine-4-methanol,2-amino-4-pyridinylmethanol,4-pyridinemethanol, 2-amino,2-aminopyridin-4-yl-methanol,2-amino-4-pyridinemethanol,2-amino-4-pyridinyl methanol,2-amino-4-hydroxymethylpyridine,2-amino-4-pyridyl methan-1-ol |
| IUPAC Name | (2-aminopyridin-4-yl)methanol |
| InChI Key | ZRJJXXDQIQFZBW-UHFFFAOYSA-O |
| Molecular Formula | C6H9N2O |
3-Hydroxyazetidine hydrochloride, 97%
CAS: 18621-18-6 Molecular Formula: C3H8ClNO Molecular Weight (g/mol): 109.553 MDL Number: MFCD02683887 InChI Key: UQUPQEUNHVVNKW-UHFFFAOYSA-N Synonym: 3-hydroxyazetidine hydrochloride,azetidin-3-ol hydrochloride,3-hydroxyazetidine hcl,azetidin-3-ol hcl,3-azetidinol hydrochloride,azetidin-3-ol hydrochloride salt,3-azetidinol, hydrochloride,3-hydroxy-azetidine hydrochloride,azetidin-3-ol, hydrochloride salt,3-hydroxy-1-azetidine hydrochloride PubChem CID: 2759290 IUPAC Name: azetidin-3-ol;hydrochloride SMILES: C1C(CN1)O.Cl
| PubChem CID | 2759290 |
|---|---|
| CAS | 18621-18-6 |
| Molecular Weight (g/mol) | 109.553 |
| MDL Number | MFCD02683887 |
| SMILES | C1C(CN1)O.Cl |
| Synonym | 3-hydroxyazetidine hydrochloride,azetidin-3-ol hydrochloride,3-hydroxyazetidine hcl,azetidin-3-ol hcl,3-azetidinol hydrochloride,azetidin-3-ol hydrochloride salt,3-azetidinol, hydrochloride,3-hydroxy-azetidine hydrochloride,azetidin-3-ol, hydrochloride salt,3-hydroxy-1-azetidine hydrochloride |
| IUPAC Name | azetidin-3-ol;hydrochloride |
| InChI Key | UQUPQEUNHVVNKW-UHFFFAOYSA-N |
| Molecular Formula | C3H8ClNO |
Dimethyl pyridine-2,3-dicarboxylate, 95%
CAS: 605-38-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00186549 InChI Key: YLGIBCYHQZTFQL-UHFFFAOYSA-N Synonym: 2,3-pyridinedicarboxylic acid dimethyl ester,dimethyl quinolinate,dimethyl 2,3-pyridinedicarboxylate,2,3-bis methoxycarbonyl pyridine,2,3-pyridinedicarboxylic acid, dimethyl ester,methylquinolinic acid, 2,3-dimethyl ester,2,3-dimethyl pyridine-2,3-dicarboxylate,pyridine-2,3-dicarboxylic acid dimethyl ester,mqdme,2,3-dimethyl methylquinolinate PubChem CID: 69058 IUPAC Name: dimethyl pyridine-2,3-dicarboxylate SMILES: COC(=O)C1=CC=CN=C1C(=O)OC
| PubChem CID | 69058 |
|---|---|
| CAS | 605-38-9 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00186549 |
| SMILES | COC(=O)C1=CC=CN=C1C(=O)OC |
| Synonym | 2,3-pyridinedicarboxylic acid dimethyl ester,dimethyl quinolinate,dimethyl 2,3-pyridinedicarboxylate,2,3-bis methoxycarbonyl pyridine,2,3-pyridinedicarboxylic acid, dimethyl ester,methylquinolinic acid, 2,3-dimethyl ester,2,3-dimethyl pyridine-2,3-dicarboxylate,pyridine-2,3-dicarboxylic acid dimethyl ester,mqdme,2,3-dimethyl methylquinolinate |
| IUPAC Name | dimethyl pyridine-2,3-dicarboxylate |
| InChI Key | YLGIBCYHQZTFQL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |