Organoheterocyclic compounds
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2,4-Piperidinedione 98.0+%, TCI America™
CAS: 50607-30-2 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD08704814 InChI Key: RDNZDMDLRIQQAX-UHFFFAOYSA-N Synonym: 2,4-piperidinedione,2,4-piperadinedione,2,4-dioxopiperidine,2,4-diketopiperidine,piperidin-2,4-dione,2,4 dioxopiperdine,2, 4-dioxopiperidine,pubchem22543,acmc-209ko8 PubChem CID: 10887863 IUPAC Name: piperidine-2,4-dione SMILES: C1CNC(=O)CC1=O
| PubChem CID | 10887863 |
|---|---|
| CAS | 50607-30-2 |
| Molecular Weight (g/mol) | 113.116 |
| MDL Number | MFCD08704814 |
| SMILES | C1CNC(=O)CC1=O |
| Synonym | 2,4-piperidinedione,2,4-piperadinedione,2,4-dioxopiperidine,2,4-diketopiperidine,piperidin-2,4-dione,2,4 dioxopiperdine,2, 4-dioxopiperidine,pubchem22543,acmc-209ko8 |
| IUPAC Name | piperidine-2,4-dione |
| InChI Key | RDNZDMDLRIQQAX-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
6-Methylnicotinic Acid 98.0+%, TCI America™
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 |
2-Hydroxynicotinic Acid 98.0+%, TCI America™
CAS: 609-71-2 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00010100 InChI Key: UEYQJQVBUVAELZ-UHFFFAOYSA-N Synonym: 2-hydroxynicotinic acid,2-hydroxypyridine-3-carboxylic acid,2-oxo-1,2-dihydropyridine-3-carboxylic acid,2-hydroxynicotinicacid,unii-tmq68q9ba3,3-pyridinecarboxylic acid, 1,2-dihydro-2-oxo,1,2-dihydro-2-oxonicotinic acid,tmq68q9ba3,2-hydroxy-3-pyridinecarboxylic acid,1,2-dihydro-2-oxo-3-pyridinecarboxylic acid PubChem CID: 69114 IUPAC Name: 2-oxo-1,2-dihydropyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CNC1=O
| PubChem CID | 69114 |
|---|---|
| CAS | 609-71-2 |
| Molecular Weight (g/mol) | 139.11 |
| MDL Number | MFCD00010100 |
| SMILES | OC(=O)C1=CC=CNC1=O |
| Synonym | 2-hydroxynicotinic acid,2-hydroxypyridine-3-carboxylic acid,2-oxo-1,2-dihydropyridine-3-carboxylic acid,2-hydroxynicotinicacid,unii-tmq68q9ba3,3-pyridinecarboxylic acid, 1,2-dihydro-2-oxo,1,2-dihydro-2-oxonicotinic acid,tmq68q9ba3,2-hydroxy-3-pyridinecarboxylic acid,1,2-dihydro-2-oxo-3-pyridinecarboxylic acid |
| IUPAC Name | 2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| InChI Key | UEYQJQVBUVAELZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
Isoquinoline N-Oxide, TCI America™
CAS: 1532-72-5 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00006903 InChI Key: RZIAABRFQASVSW-UHFFFAOYSA-N Synonym: isoquinoline n-oxide,isoquinoline 2-oxide,isoquinoline-n-oxide,isoquinoline oxide,isoquinoline, 2-oxide,isoquinolin-n-oxide,isoquinolin-2-ium-2-olate,isoquinolinen-oxide,acmc-1boxv,2-oxido-isoquinolin-2-ium PubChem CID: 290378 IUPAC Name: 2-oxidoisoquinolin-2-ium SMILES: C1=CC=C2C=[N+](C=CC2=C1)[O-]
| PubChem CID | 290378 |
|---|---|
| CAS | 1532-72-5 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD00006903 |
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)[O-] |
| Synonym | isoquinoline n-oxide,isoquinoline 2-oxide,isoquinoline-n-oxide,isoquinoline oxide,isoquinoline, 2-oxide,isoquinolin-n-oxide,isoquinolin-2-ium-2-olate,isoquinolinen-oxide,acmc-1boxv,2-oxido-isoquinolin-2-ium |
| IUPAC Name | 2-oxidoisoquinolin-2-ium |
| InChI Key | RZIAABRFQASVSW-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
2-Chloro-3,5-dinitropyridine 98.0+%, TCI America™
CAS: 2578-45-2 Molecular Formula: C5H2ClN3O4 Molecular Weight (g/mol): 203.538 MDL Number: MFCD00006233 InChI Key: QLHVJBXAQWPEDI-UHFFFAOYSA-N Synonym: pyridine, 2-chloro-3,5-dinitro,2-chloro-3,5-dinitro-pyridine,pubchem6103,acmc-209gmh,2-chloro3,5-dinitropyridine,2-chloro-3,5-dinitropyridine PubChem CID: 75738 IUPAC Name: 2-chloro-3,5-dinitropyridine SMILES: C1=C(C=NC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
| PubChem CID | 75738 |
|---|---|
| CAS | 2578-45-2 |
| Molecular Weight (g/mol) | 203.538 |
| MDL Number | MFCD00006233 |
| SMILES | C1=C(C=NC(=C1[N+](=O)[O-])Cl)[N+](=O)[O-] |
| Synonym | pyridine, 2-chloro-3,5-dinitro,2-chloro-3,5-dinitro-pyridine,pubchem6103,acmc-209gmh,2-chloro3,5-dinitropyridine,2-chloro-3,5-dinitropyridine |
| IUPAC Name | 2-chloro-3,5-dinitropyridine |
| InChI Key | QLHVJBXAQWPEDI-UHFFFAOYSA-N |
| Molecular Formula | C5H2ClN3O4 |
3-Amino-2-bromopyridine 98.0+%, TCI America™
CAS: 39856-58-1 Molecular Formula: C5H5BrN2 Molecular Weight (g/mol): 173.013 InChI Key: HKDVVTLISGIPFE-UHFFFAOYSA-N Synonym: 3-amino-2-bromopyridine,2-bromo-3-aminopyridine,2-bromo-pyridineamine,3-pyridinamine, 2-bromo,2-bromo-3-pyridinamine,2-bromo-3-pyridylamine,2-bromopyridine-3-amine,3-amino-2-bromo-pyridine,2-bromo-3-pyridineamine,2-bromo-pyridin-3-ylamine PubChem CID: 642816 IUPAC Name: 2-bromopyridin-3-amine SMILES: C1=CC(=C(N=C1)Br)N
| PubChem CID | 642816 |
|---|---|
| CAS | 39856-58-1 |
| Molecular Weight (g/mol) | 173.013 |
| SMILES | C1=CC(=C(N=C1)Br)N |
| Synonym | 3-amino-2-bromopyridine,2-bromo-3-aminopyridine,2-bromo-pyridineamine,3-pyridinamine, 2-bromo,2-bromo-3-pyridinamine,2-bromo-3-pyridylamine,2-bromopyridine-3-amine,3-amino-2-bromo-pyridine,2-bromo-3-pyridineamine,2-bromo-pyridin-3-ylamine |
| IUPAC Name | 2-bromopyridin-3-amine |
| InChI Key | HKDVVTLISGIPFE-UHFFFAOYSA-N |
| Molecular Formula | C5H5BrN2 |
5-Amino-1,2,3-thiadiazole 98.0+%, TCI America™
CAS: 4100-41-8 Molecular Formula: C2H3N3S Molecular Weight (g/mol): 101.127 MDL Number: MFCD00082810 InChI Key: PVGHNTXQMCYYGF-UHFFFAOYSA-N PubChem CID: 77736 IUPAC Name: thiadiazol-5-amine SMILES: C1=C(SN=N1)N
| PubChem CID | 77736 |
|---|---|
| CAS | 4100-41-8 |
| Molecular Weight (g/mol) | 101.127 |
| MDL Number | MFCD00082810 |
| SMILES | C1=C(SN=N1)N |
| IUPAC Name | thiadiazol-5-amine |
| InChI Key | PVGHNTXQMCYYGF-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3S |
4-(4-Aminophenyl)morpholin-3-one 98.0+%, TCI America™
CAS: 438056-69-0 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.22 MDL Number: MFCD08236742 InChI Key: MHCRLDZZHOVFEE-UHFFFAOYSA-N Synonym: 4-(3-Oxomorpholino)aniline PubChem CID: 11194854 IUPAC Name: 4-(4-aminophenyl)morpholin-3-one SMILES: NC1=CC=C(C=C1)N1CCOCC1=O
| PubChem CID | 11194854 |
|---|---|
| CAS | 438056-69-0 |
| Molecular Weight (g/mol) | 192.22 |
| MDL Number | MFCD08236742 |
| SMILES | NC1=CC=C(C=C1)N1CCOCC1=O |
| Synonym | 4-(3-Oxomorpholino)aniline |
| IUPAC Name | 4-(4-aminophenyl)morpholin-3-one |
| InChI Key | MHCRLDZZHOVFEE-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O2 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anisole 98.0+%, TCI America™
CAS: 171364-79-7 Molecular Formula: C13H19BO3 Molecular Weight (g/mol): 234.10 MDL Number: MFCD05663864 InChI Key: VFIKPDSQDNROGM-UHFFFAOYSA-N Synonym: 4-Methoxyphenylboronic Acid Pinacol Ester, 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane PubChem CID: 584319 IUPAC Name: 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: COC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 584319 |
|---|---|
| CAS | 171364-79-7 |
| Molecular Weight (g/mol) | 234.10 |
| MDL Number | MFCD05663864 |
| SMILES | COC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 4-Methoxyphenylboronic Acid Pinacol Ester, 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | VFIKPDSQDNROGM-UHFFFAOYSA-N |
| Molecular Formula | C13H19BO3 |
4-(1,2,4-Triazol-1-yl)aniline 98.0+%, TCI America™
CAS: 6523-49-5 Molecular Formula: C8H8N4 Molecular Weight (g/mol): 160.18 MDL Number: MFCD00171470 InChI Key: BLNPEJXSNSBBNM-UHFFFAOYSA-N Synonym: 4-1,2,4 triazol-1-yl-phenylamine,4-1h-1,2,4-triazol-1-yl aniline,4-1,2,4-triazol-1-yl aniline,1-4-aminophenyl-1,2,4-triazole,triazolylaniline,1-4'-aminophenyl-1,2,4-triazole,benzenamine, 4-1h-1,2,4-triazol-1-yl,4-1h-1,2,4-triazol-1-yl benzenamine,4-1,2,4-triazolyl phenylamine,pubchem3927 PubChem CID: 735826 IUPAC Name: 4-(1,2,4-triazol-1-yl)aniline SMILES: C1=CC(=CC=C1N)N2C=NC=N2
| PubChem CID | 735826 |
|---|---|
| CAS | 6523-49-5 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD00171470 |
| SMILES | C1=CC(=CC=C1N)N2C=NC=N2 |
| Synonym | 4-1,2,4 triazol-1-yl-phenylamine,4-1h-1,2,4-triazol-1-yl aniline,4-1,2,4-triazol-1-yl aniline,1-4-aminophenyl-1,2,4-triazole,triazolylaniline,1-4'-aminophenyl-1,2,4-triazole,benzenamine, 4-1h-1,2,4-triazol-1-yl,4-1h-1,2,4-triazol-1-yl benzenamine,4-1,2,4-triazolyl phenylamine,pubchem3927 |
| IUPAC Name | 4-(1,2,4-triazol-1-yl)aniline |
| InChI Key | BLNPEJXSNSBBNM-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4 |
2-Amino-4-(4-chlorophenyl)-5-methylthiazole 98.0+%, TCI America™
CAS: 82632-77-7 Molecular Formula: C10H9ClN2S Molecular Weight (g/mol): 224.706 MDL Number: MFCD00731832 InChI Key: IEJGVSUOFMBPJU-UHFFFAOYSA-N PubChem CID: 667574 IUPAC Name: 4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-amine SMILES: CC1=C(N=C(S1)N)C2=CC=C(C=C2)Cl
| PubChem CID | 667574 |
|---|---|
| CAS | 82632-77-7 |
| Molecular Weight (g/mol) | 224.706 |
| MDL Number | MFCD00731832 |
| SMILES | CC1=C(N=C(S1)N)C2=CC=C(C=C2)Cl |
| IUPAC Name | 4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-amine |
| InChI Key | IEJGVSUOFMBPJU-UHFFFAOYSA-N |
| Molecular Formula | C10H9ClN2S |
3-Quinuclidinone Hydrochloride 98.0+%, TCI America™
CAS: 1193-65-3 Molecular Formula: C7H12ClNO Molecular Weight (g/mol): 161.629 MDL Number: MFCD00137391 InChI Key: RFDPHKHXPMDJJD-UHFFFAOYSA-N Synonym: 3-quinuclidinone hydrochloride,quinuclidin-3-one hydrochloride,3-quinuclidone hydrochloride,1-azabicyclo 2.2.2 octan-3-one hydrochloride,3-quinuclidnone hydrochloride,1-azabicyclo 2.2.2 octan-3-one, hydrochloride,1-aza-3-oxobicyclo 2.2.2 octane,quinuclidin-3-one, chloride,1-azabicyclo 2.2.2 octan-3-one, hydrochloride 1:1 PubChem CID: 102019 IUPAC Name: 1-azabicyclo[2.2.2]octan-3-one;hydrochloride SMILES: C1CN2CCC1C(=O)C2.Cl
| PubChem CID | 102019 |
|---|---|
| CAS | 1193-65-3 |
| Molecular Weight (g/mol) | 161.629 |
| MDL Number | MFCD00137391 |
| SMILES | C1CN2CCC1C(=O)C2.Cl |
| Synonym | 3-quinuclidinone hydrochloride,quinuclidin-3-one hydrochloride,3-quinuclidone hydrochloride,1-azabicyclo 2.2.2 octan-3-one hydrochloride,3-quinuclidnone hydrochloride,1-azabicyclo 2.2.2 octan-3-one, hydrochloride,1-aza-3-oxobicyclo 2.2.2 octane,quinuclidin-3-one, chloride,1-azabicyclo 2.2.2 octan-3-one, hydrochloride 1:1 |
| IUPAC Name | 1-azabicyclo[2.2.2]octan-3-one;hydrochloride |
| InChI Key | RFDPHKHXPMDJJD-UHFFFAOYSA-N |
| Molecular Formula | C7H12ClNO |
Quinazoline 98.0+%, TCI America™
CAS: 253-82-7 Molecular Formula: C8H6N2 Molecular Weight (g/mol): 130.15 MDL Number: MFCD00006712 InChI Key: JWVCLYRUEFBMGU-UHFFFAOYSA-N Synonym: phenmiazine,1,3-benzodiazine,1,3-diazanaphthalene,5,6-benzopyrimidine,benzo a pyrimidine,chinazolin,unii-ub9qur18nl,ub9qur18nl,benzopyrimidine PubChem CID: 9210 ChEBI: CHEBI:36621 IUPAC Name: quinazoline SMILES: C1=CC=C2N=CN=CC2=C1
| PubChem CID | 9210 |
|---|---|
| CAS | 253-82-7 |
| Molecular Weight (g/mol) | 130.15 |
| ChEBI | CHEBI:36621 |
| MDL Number | MFCD00006712 |
| SMILES | C1=CC=C2N=CN=CC2=C1 |
| Synonym | phenmiazine,1,3-benzodiazine,1,3-diazanaphthalene,5,6-benzopyrimidine,benzo a pyrimidine,chinazolin,unii-ub9qur18nl,ub9qur18nl,benzopyrimidine |
| IUPAC Name | quinazoline |
| InChI Key | JWVCLYRUEFBMGU-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2 |
4-Phenylurazole 98.0+%, TCI America™
CAS: 15988-11-1 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD00005226 InChI Key: GOSUFRDROXZXLN-UHFFFAOYSA-N Synonym: 4-phenylurazole,urazole, 4-phenyl,1,2,4-triazolidine-3,5-dione, 4-phenyl,bicarbamimide, n-phenyl,4-phenyl urazole,4-phenylurazol,4-phenyl-urazole,acmc-1c52y,ksc297q5n PubChem CID: 85229 IUPAC Name: 4-phenyl-1,2,4-triazolidine-3,5-dione SMILES: C1=CC=C(C=C1)N2C(=O)NNC2=O
| PubChem CID | 85229 |
|---|---|
| CAS | 15988-11-1 |
| Molecular Weight (g/mol) | 177.163 |
| MDL Number | MFCD00005226 |
| SMILES | C1=CC=C(C=C1)N2C(=O)NNC2=O |
| Synonym | 4-phenylurazole,urazole, 4-phenyl,1,2,4-triazolidine-3,5-dione, 4-phenyl,bicarbamimide, n-phenyl,4-phenyl urazole,4-phenylurazol,4-phenyl-urazole,acmc-1c52y,ksc297q5n |
| IUPAC Name | 4-phenyl-1,2,4-triazolidine-3,5-dione |
| InChI Key | GOSUFRDROXZXLN-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3O2 |
2-(1-Piperazinylcarbonyl)-1,4-benzodioxane 95.0+%, TCI America™
CAS: 70918-00-2 Molecular Formula: C13H16N2O3 Molecular Weight (g/mol): 248.282 MDL Number: MFCD01837119 InChI Key: FLUPDJNTYCSBJZ-UHFFFAOYSA-N Synonym: 1-[(1,4-Benzodioxan-2-yl)carbonyl]piperazine PubChem CID: 2735449 IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone SMILES: C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2
| PubChem CID | 2735449 |
|---|---|
| CAS | 70918-00-2 |
| Molecular Weight (g/mol) | 248.282 |
| MDL Number | MFCD01837119 |
| SMILES | C1CN(CCN1)C(=O)C2COC3=CC=CC=C3O2 |
| Synonym | 1-[(1,4-Benzodioxan-2-yl)carbonyl]piperazine |
| IUPAC Name | 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone |
| InChI Key | FLUPDJNTYCSBJZ-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O3 |