Organoheterocyclic compounds
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2-Aminopyridine-4-carboxamide, 95%
CAS: 13538-42-6 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.14 MDL Number: MFCD03791262 InChI Key: AGSDASDGMNDAIE-UHFFFAOYSA-N PubChem CID: 351653 IUPAC Name: 2-aminopyridine-4-carboxamide SMILES: NC(=O)C1=CC=NC(N)=C1
| PubChem CID | 351653 |
|---|---|
| CAS | 13538-42-6 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD03791262 |
| SMILES | NC(=O)C1=CC=NC(N)=C1 |
| IUPAC Name | 2-aminopyridine-4-carboxamide |
| InChI Key | AGSDASDGMNDAIE-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
Benzo[b]furan-3-acetonitrile, 99%
CAS: 52407-43-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD02183555 InChI Key: BJAJKVZABJZXDC-UHFFFAOYSA-N Synonym: 1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile PubChem CID: 2769401 IUPAC Name: 2-(1-benzofuran-3-yl)acetonitrile SMILES: C1=CC=C2C(=C1)C(=CO2)CC#N
| PubChem CID | 2769401 |
|---|---|
| CAS | 52407-43-9 |
| Molecular Weight (g/mol) | 157.172 |
| MDL Number | MFCD02183555 |
| SMILES | C1=CC=C2C(=C1)C(=CO2)CC#N |
| Synonym | 1-benzofuran-3-ylacetonitrile,3-benzo b furylacetonitrile,benzofuran-3-acetonitrile,2-benzofuran-3-yl acetonitrile,benzo b furan-3-acetonitrile,2-3-benzofuranyl acetonitrile,2-1-benzofuran-3-yl acetonitrile,2-benzo b furan-3-ylethanenitrile,pubchem7006,3-benzofuranylacetonitrile |
| IUPAC Name | 2-(1-benzofuran-3-yl)acetonitrile |
| InChI Key | BJAJKVZABJZXDC-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
3-Amino-4-methylpyridine, 98%
CAS: 3430-27-1 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.144 MDL Number: MFCD00128871 InChI Key: IBKMZYWDWWIWEL-UHFFFAOYSA-N Synonym: 3-amino-4-methylpyridine,3-amino-4-picoline,3-pyridinamine, 4-methyl,4-methyl-3-pyridinamine,4-methyl-pyridin-3-ylamine,unii-9hn55rq07b,4-methyl-3-pyridylamine,4-methylpyridine-3-amine,3-amino-4-methyl pyridine,3-amino-4-methylpyridine 3-amino-4-picoline PubChem CID: 137935 IUPAC Name: 4-methylpyridin-3-amine SMILES: CC1=C(C=NC=C1)N
| PubChem CID | 137935 |
|---|---|
| CAS | 3430-27-1 |
| Molecular Weight (g/mol) | 108.144 |
| MDL Number | MFCD00128871 |
| SMILES | CC1=C(C=NC=C1)N |
| Synonym | 3-amino-4-methylpyridine,3-amino-4-picoline,3-pyridinamine, 4-methyl,4-methyl-3-pyridinamine,4-methyl-pyridin-3-ylamine,unii-9hn55rq07b,4-methyl-3-pyridylamine,4-methylpyridine-3-amine,3-amino-4-methyl pyridine,3-amino-4-methylpyridine 3-amino-4-picoline |
| IUPAC Name | 4-methylpyridin-3-amine |
| InChI Key | IBKMZYWDWWIWEL-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
2,3,6-Trifluoro-4-(trifluoromethyl)pyridine, 97%, Thermo Scientific Chemicals
CAS: 84940-46-5 Molecular Formula: C6HF6N Molecular Weight (g/mol): 201.071 MDL Number: MFCD03840203 InChI Key: DODFHNWFNCGXOW-UHFFFAOYSA-N Synonym: 2,3,6-trifluoro-4-trifluoromethyl pyridine,pyridine,2,3,6-trifluoro-4-trifluoromethyl,2,3,6-tris fluoranyl-4-trifluoromethyl pyridine PubChem CID: 2782842 IUPAC Name: 2,3,6-trifluoro-4-(trifluoromethyl)pyridine SMILES: C1=C(C(=C(N=C1F)F)F)C(F)(F)F
| PubChem CID | 2782842 |
|---|---|
| CAS | 84940-46-5 |
| Molecular Weight (g/mol) | 201.071 |
| MDL Number | MFCD03840203 |
| SMILES | C1=C(C(=C(N=C1F)F)F)C(F)(F)F |
| Synonym | 2,3,6-trifluoro-4-trifluoromethyl pyridine,pyridine,2,3,6-trifluoro-4-trifluoromethyl,2,3,6-tris fluoranyl-4-trifluoromethyl pyridine |
| IUPAC Name | 2,3,6-trifluoro-4-(trifluoromethyl)pyridine |
| InChI Key | DODFHNWFNCGXOW-UHFFFAOYSA-N |
| Molecular Formula | C6HF6N |
| CAS | 5444-01-9 |
|---|---|
| MDL Number | MFCD00234272 |
3-Phthalimidopropionic acid, 98%
CAS: 3339-73-9 Molecular Formula: C11H9NO4 Molecular Weight (g/mol): 219.196 MDL Number: MFCD00023096 InChI Key: DXXHRZUOTPMGEH-UHFFFAOYSA-N Synonym: 3-phthalimidopropionic acid,3-1,3-dioxoisoindolin-2-yl propanoic acid,2h-isoindole-2-propanoic acid, 1,3-dihydro-1,3-dioxo,3-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl propanoic acid,3-1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl propanoic acid,pht-beta-ala-oh,b-phthalimidopropionic acid,3-phthalimidopropanoic acid,n-phthaloyl-beta-alanine,phthalyl-.beta.-alanine PubChem CID: 76859 IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propanoic acid SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)O
| PubChem CID | 76859 |
|---|---|
| CAS | 3339-73-9 |
| Molecular Weight (g/mol) | 219.196 |
| MDL Number | MFCD00023096 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)O |
| Synonym | 3-phthalimidopropionic acid,3-1,3-dioxoisoindolin-2-yl propanoic acid,2h-isoindole-2-propanoic acid, 1,3-dihydro-1,3-dioxo,3-1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl propanoic acid,3-1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl propanoic acid,pht-beta-ala-oh,b-phthalimidopropionic acid,3-phthalimidopropanoic acid,n-phthaloyl-beta-alanine,phthalyl-.beta.-alanine |
| IUPAC Name | 3-(1,3-dioxoisoindol-2-yl)propanoic acid |
| InChI Key | DXXHRZUOTPMGEH-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO4 |
Ethyl 3-methylisoxazole-4-carboxylate, 97%
CAS: 20328-15-8 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.153 MDL Number: MFCD01075736 InChI Key: AEWHICNMVQOWJE-UHFFFAOYSA-N Synonym: ethyl 3-methylisoxazole-4-carboxylate,ethyl 3-methyl-isoxazole-4-carboxylate,4-isoxazolecarboxylic acid, 3-methyl-, ethyl ester,acmc-20akze,ethyl 3-methyl-4-isoxazolecarboxylate,3-methyl-4-isoxazolecarboxylic acid ethyl ester,3-methyl-isoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylicacid, 3-methyl-, ethyl ester,3-methyl-4-isoxazolecarboxylic acid, ethyl ester,3-methylisoxazole-4-carboxylic acid ethyl ester PubChem CID: 317668 IUPAC Name: ethyl 3-methyl-1,2-oxazole-4-carboxylate SMILES: CCOC(=O)C1=CON=C1C
| PubChem CID | 317668 |
|---|---|
| CAS | 20328-15-8 |
| Molecular Weight (g/mol) | 155.153 |
| MDL Number | MFCD01075736 |
| SMILES | CCOC(=O)C1=CON=C1C |
| Synonym | ethyl 3-methylisoxazole-4-carboxylate,ethyl 3-methyl-isoxazole-4-carboxylate,4-isoxazolecarboxylic acid, 3-methyl-, ethyl ester,acmc-20akze,ethyl 3-methyl-4-isoxazolecarboxylate,3-methyl-4-isoxazolecarboxylic acid ethyl ester,3-methyl-isoxazole-4-carboxylic acid ethyl ester,4-isoxazolecarboxylicacid, 3-methyl-, ethyl ester,3-methyl-4-isoxazolecarboxylic acid, ethyl ester,3-methylisoxazole-4-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 3-methyl-1,2-oxazole-4-carboxylate |
| InChI Key | AEWHICNMVQOWJE-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3 |
2-Amino-4-chloro-6-methylpyrimidine, 98%
CAS: 5600-21-5 Molecular Formula: C5H6ClN3 Molecular Weight (g/mol): 143.574 MDL Number: MFCD00006091 InChI Key: NPTGVVKPLWFPPX-UHFFFAOYSA-N Synonym: 2-amino-4-chloro-6-methylpyrimidine,am inhibitor,am pesticide,prepn. am,4-chloro-6-methyl-2-pyrimidinamine,4-chloro-6-methylpyrimidin-2-ylamine,2-pyrimidinamine, 4-chloro-6-methyl,am nitrification inhibitor,pyrimidine, 2-amino-4-chloro-6-methyl,2-amino-6-chloro-4-methylpyrimidine PubChem CID: 21810 ChEBI: CHEBI:58960 IUPAC Name: 4-chloro-6-methylpyrimidin-2-amine SMILES: CC1=CC(=NC(=N1)N)Cl
| PubChem CID | 21810 |
|---|---|
| CAS | 5600-21-5 |
| Molecular Weight (g/mol) | 143.574 |
| ChEBI | CHEBI:58960 |
| MDL Number | MFCD00006091 |
| SMILES | CC1=CC(=NC(=N1)N)Cl |
| Synonym | 2-amino-4-chloro-6-methylpyrimidine,am inhibitor,am pesticide,prepn. am,4-chloro-6-methyl-2-pyrimidinamine,4-chloro-6-methylpyrimidin-2-ylamine,2-pyrimidinamine, 4-chloro-6-methyl,am nitrification inhibitor,pyrimidine, 2-amino-4-chloro-6-methyl,2-amino-6-chloro-4-methylpyrimidine |
| IUPAC Name | 4-chloro-6-methylpyrimidin-2-amine |
| InChI Key | NPTGVVKPLWFPPX-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN3 |
5,5-Dimethyl-1,3-dioxan-2-one, tech.
CAS: 3592-12-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00014650 InChI Key: JRFXQKZEGILCCO-UHFFFAOYSA-N Synonym: neopentylene carbonate,2,2-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-diox-2-one,acmc-1adx1,3-nitro-5-chlorobenzenesulfonamide,5,5-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-dioxane-2-one,5,5-dimethyl-2-oxo-1,3-dioxane,1,3-dioxan-2-one,5,5-dimethyl,5,5-dimethyl-1,3 dioxan-2-one PubChem CID: 137984 IUPAC Name: 5,5-dimethyl-1,3-dioxan-2-one SMILES: CC1(COC(=O)OC1)C
| PubChem CID | 137984 |
|---|---|
| CAS | 3592-12-9 |
| Molecular Weight (g/mol) | 130.14 |
| MDL Number | MFCD00014650 |
| SMILES | CC1(COC(=O)OC1)C |
| Synonym | neopentylene carbonate,2,2-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-diox-2-one,acmc-1adx1,3-nitro-5-chlorobenzenesulfonamide,5,5-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-dioxane-2-one,5,5-dimethyl-2-oxo-1,3-dioxane,1,3-dioxan-2-one,5,5-dimethyl,5,5-dimethyl-1,3 dioxan-2-one |
| IUPAC Name | 5,5-dimethyl-1,3-dioxan-2-one |
| InChI Key | JRFXQKZEGILCCO-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
| CAS | 3-2-3988 |
|---|
(-)-Cotinine, 98%
CAS: 486-56-6 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 MDL Number: MFCD00077696 InChI Key: UIKROCXWUNQSPJ-VIFPVBQESA-N Synonym: cotinine,--cotinine,cotinina,cotininum,cotinine-,s-cotinine,s---cotinine,unii-k5161x06ll,s-1-methyl-5-3-pyridinyl-2-pyrrolidinone,2-pyrrolidinone, 1-methyl-5-3-pyridinyl-, 5s PubChem CID: 854019 ChEBI: CHEBI:68641 IUPAC Name: (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one SMILES: CN1C(CCC1=O)C2=CN=CC=C2
| PubChem CID | 854019 |
|---|---|
| CAS | 486-56-6 |
| Molecular Weight (g/mol) | 176.219 |
| ChEBI | CHEBI:68641 |
| MDL Number | MFCD00077696 |
| SMILES | CN1C(CCC1=O)C2=CN=CC=C2 |
| Synonym | cotinine,--cotinine,cotinina,cotininum,cotinine-,s-cotinine,s---cotinine,unii-k5161x06ll,s-1-methyl-5-3-pyridinyl-2-pyrrolidinone,2-pyrrolidinone, 1-methyl-5-3-pyridinyl-, 5s |
| IUPAC Name | (5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one |
| InChI Key | UIKROCXWUNQSPJ-VIFPVBQESA-N |
| Molecular Formula | C10H12N2O |
D-(-)-Pantolactone, 99%
CAS: 599-04-2 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00005392 InChI Key: SERHXTVXHNVDKA-BYPYZUCNSA-N Synonym: d---pantolactone,r-pantolactone,d-pantolactone,r-pantoyl lactone,d---pantoyl lactone,pantothenic lactone,r-3-hydroxy-4,4-dimethyldihydrofuran-2 3h-one,unii-j288d7o0js,2 3h-furanone, dihydro-3-hydroxy-4,4-dimethyl-, 3r,r---pantolactone PubChem CID: 439368 ChEBI: CHEBI:16719 IUPAC Name: (3R)-3-hydroxy-4,4-dimethyloxolan-2-one SMILES: CC1(COC(=O)C1O)C
| PubChem CID | 439368 |
|---|---|
| CAS | 599-04-2 |
| Molecular Weight (g/mol) | 130.143 |
| ChEBI | CHEBI:16719 |
| MDL Number | MFCD00005392 |
| SMILES | CC1(COC(=O)C1O)C |
| Synonym | d---pantolactone,r-pantolactone,d-pantolactone,r-pantoyl lactone,d---pantoyl lactone,pantothenic lactone,r-3-hydroxy-4,4-dimethyldihydrofuran-2 3h-one,unii-j288d7o0js,2 3h-furanone, dihydro-3-hydroxy-4,4-dimethyl-, 3r,r---pantolactone |
| IUPAC Name | (3R)-3-hydroxy-4,4-dimethyloxolan-2-one |
| InChI Key | SERHXTVXHNVDKA-BYPYZUCNSA-N |
| Molecular Formula | C6H10O3 |
2-Bromo-6-methylpyridine, 98%
CAS: 5315-25-3 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.03 MDL Number: MFCD00040743 InChI Key: SOHDPICLICFSOP-UHFFFAOYSA-N Synonym: 2-bromo-6-picoline,6-bromo-2-picoline,6-bromo-2-methylpyridine,2-bromo-6-methyl-pyridine,2-bromo-6-methyl pyridine,2-brom-6-methylpyridin,pyridine, 2-bromo-6-methyl,2-bromo-6-methy pyridine,6-bromopicoline,6-methyl-2-bromopyridine PubChem CID: 79205 IUPAC Name: 2-bromo-6-methylpyridine SMILES: CC1=CC=CC(Br)=N1
| PubChem CID | 79205 |
|---|---|
| CAS | 5315-25-3 |
| Molecular Weight (g/mol) | 172.03 |
| MDL Number | MFCD00040743 |
| SMILES | CC1=CC=CC(Br)=N1 |
| Synonym | 2-bromo-6-picoline,6-bromo-2-picoline,6-bromo-2-methylpyridine,2-bromo-6-methyl-pyridine,2-bromo-6-methyl pyridine,2-brom-6-methylpyridin,pyridine, 2-bromo-6-methyl,2-bromo-6-methy pyridine,6-bromopicoline,6-methyl-2-bromopyridine |
| IUPAC Name | 2-bromo-6-methylpyridine |
| InChI Key | SOHDPICLICFSOP-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
6-Methylnicotinic acid, 99%
CAS: 3222-47-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00006341 InChI Key: RZOKQIPOABEQAM-UHFFFAOYSA-N Synonym: 6-methylnicotinic acid,3-pyridinecarboxylic acid, 6-methyl,6-methyl nicotinic acid,2-methylpyridine-5-carboxylic acid,2-methyl-5-pyridinecarboxylic acid,6-methyl-3-pyridinecarboxylic acid,2-methyl-5-pyridine carboxylic acid,6-methylnicotinate,6-methylnicotinicacid,pubchem1218 PubChem CID: 137860 IUPAC Name: 6-methylpyridine-3-carboxylic acid SMILES: CC1=NC=C(C=C1)C(=O)O
| PubChem CID | 137860 |
|---|---|
| CAS | 3222-47-7 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00006341 |
| SMILES | CC1=NC=C(C=C1)C(=O)O |
| Synonym | 6-methylnicotinic acid,3-pyridinecarboxylic acid, 6-methyl,6-methyl nicotinic acid,2-methylpyridine-5-carboxylic acid,2-methyl-5-pyridinecarboxylic acid,6-methyl-3-pyridinecarboxylic acid,2-methyl-5-pyridine carboxylic acid,6-methylnicotinate,6-methylnicotinicacid,pubchem1218 |
| IUPAC Name | 6-methylpyridine-3-carboxylic acid |
| InChI Key | RZOKQIPOABEQAM-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
3,5-Dichloro-2-cyanopyridine, 95%, Thermo Scientific Chemicals
CAS: 85331-33-5 Molecular Formula: C6H2Cl2N2 Molecular Weight (g/mol): 172.996 MDL Number: MFCD03788758 InChI Key: ATUOLSDAAPMVJJ-UHFFFAOYSA-N Synonym: 3,5-dichloro-2-cyanopyridine,2-cyano-3,5-dichloropyridine,3,5-dichloropicolinonitrile,2-pyridinecarbonitrile, 3,5-dichloro,pubchem2423,acmc-209q5l,ksc448a0l,tpc-py042,3,5-dichloro-2-cyano pyridine,3,5-dichloro-2-pyridinecarbonitrile PubChem CID: 2769699 IUPAC Name: 3,5-dichloropyridine-2-carbonitrile SMILES: C1=C(C=NC(=C1Cl)C#N)Cl
| PubChem CID | 2769699 |
|---|---|
| CAS | 85331-33-5 |
| Molecular Weight (g/mol) | 172.996 |
| MDL Number | MFCD03788758 |
| SMILES | C1=C(C=NC(=C1Cl)C#N)Cl |
| Synonym | 3,5-dichloro-2-cyanopyridine,2-cyano-3,5-dichloropyridine,3,5-dichloropicolinonitrile,2-pyridinecarbonitrile, 3,5-dichloro,pubchem2423,acmc-209q5l,ksc448a0l,tpc-py042,3,5-dichloro-2-cyano pyridine,3,5-dichloro-2-pyridinecarbonitrile |
| IUPAC Name | 3,5-dichloropyridine-2-carbonitrile |
| InChI Key | ATUOLSDAAPMVJJ-UHFFFAOYSA-N |
| Molecular Formula | C6H2Cl2N2 |