Organoheterocyclic compounds
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4,4'-(Ethyne-1,2-diyl)diphthalic Anhydride 98.0+%, TCI America™
CAS: 129808-00-0 Molecular Formula: C18H6O6 Molecular Weight (g/mol): 318.24 InChI Key: XGZRRDYHYZLYIJ-UHFFFAOYSA-N PubChem CID: 58986478 IUPAC Name: 5-[2-(1,3-dioxo-2-benzofuran-5-yl)ethynyl]-2-benzofuran-1,3-dione SMILES: C1=CC2=C(C=C1C#CC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
| PubChem CID | 58986478 |
|---|---|
| CAS | 129808-00-0 |
| Molecular Weight (g/mol) | 318.24 |
| SMILES | C1=CC2=C(C=C1C#CC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O |
| IUPAC Name | 5-[2-(1,3-dioxo-2-benzofuran-5-yl)ethynyl]-2-benzofuran-1,3-dione |
| InChI Key | XGZRRDYHYZLYIJ-UHFFFAOYSA-N |
| Molecular Formula | C18H6O6 |
1-(Ethoxycarbonyl)-4-piperidinecarboxylic Acid 98.0+%, TCI America™
CAS: 118133-15-6 Molecular Formula: C9H15NO4 Molecular Weight (g/mol): 201.222 MDL Number: MFCD07339354 InChI Key: BVEBMPFJSMEGJX-UHFFFAOYSA-N Synonym: 1-(Ethoxycarbonyl)isonipecotic Acid PubChem CID: 6618886 IUPAC Name: 1-ethoxycarbonylpiperidine-4-carboxylic acid SMILES: CCOC(=O)N1CCC(CC1)C(=O)O
| PubChem CID | 6618886 |
|---|---|
| CAS | 118133-15-6 |
| Molecular Weight (g/mol) | 201.222 |
| MDL Number | MFCD07339354 |
| SMILES | CCOC(=O)N1CCC(CC1)C(=O)O |
| Synonym | 1-(Ethoxycarbonyl)isonipecotic Acid |
| IUPAC Name | 1-ethoxycarbonylpiperidine-4-carboxylic acid |
| InChI Key | BVEBMPFJSMEGJX-UHFFFAOYSA-N |
| Molecular Formula | C9H15NO4 |
2,2'-Bipyridine-6,6'-dicarboxylic Acid 98.0+%, TCI America™
CAS: 4479-74-7 Molecular Formula: C12H8N2O4 Molecular Weight (g/mol): 244.21 MDL Number: MFCD11042476 InChI Key: DASAXWLMIWDYLQ-UHFFFAOYSA-N PubChem CID: 9959961 IUPAC Name: [2,2'-bipyridine]-6,6'-dicarboxylic acid SMILES: OC(=O)C1=CC=CC(=N1)C1=NC(=CC=C1)C(O)=O
| PubChem CID | 9959961 |
|---|---|
| CAS | 4479-74-7 |
| Molecular Weight (g/mol) | 244.21 |
| MDL Number | MFCD11042476 |
| SMILES | OC(=O)C1=CC=CC(=N1)C1=NC(=CC=C1)C(O)=O |
| IUPAC Name | [2,2'-bipyridine]-6,6'-dicarboxylic acid |
| InChI Key | DASAXWLMIWDYLQ-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2O4 |
(S)-1-(tert-Butoxycarbonyl)-2-methylpiperazine 98.0+%, TCI America™
CAS: 169447-70-5 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.282 MDL Number: MFCD01862121 InChI Key: DATRVIMZZZVHMP-QMMMGPOBSA-N Synonym: (S)-1-Boc-2-methylpiperazine, tert-Butyl (S)-2-Methyl-1-piperazinecarboxylate, (S)-2-Methyl-1-piperazinecarboxylic Acid tert-Butyl Ester PubChem CID: 10081508 IUPAC Name: tert-butyl (2S)-2-methylpiperazine-1-carboxylate SMILES: CC1CNCCN1C(=O)OC(C)(C)C
| PubChem CID | 10081508 |
|---|---|
| CAS | 169447-70-5 |
| Molecular Weight (g/mol) | 200.282 |
| MDL Number | MFCD01862121 |
| SMILES | CC1CNCCN1C(=O)OC(C)(C)C |
| Synonym | (S)-1-Boc-2-methylpiperazine, tert-Butyl (S)-2-Methyl-1-piperazinecarboxylate, (S)-2-Methyl-1-piperazinecarboxylic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl (2S)-2-methylpiperazine-1-carboxylate |
| InChI Key | DATRVIMZZZVHMP-QMMMGPOBSA-N |
| Molecular Formula | C10H20N2O2 |
5-Bromo-2-hydroxypyrimidine 95.0+%, TCI America™
CAS: 38353-06-9 Molecular Formula: C4H3BrN2O Molecular Weight (g/mol): 174.985 InChI Key: VTUDATOSQGYWML-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxypyrimidine,5-bromopyrimidin-2-ol,5-bromo-2-pyrimidinol,5-bromo-2-pyrimidinone,2 1h-pyrimidinone, 5-bromo,5-bromopyrimidin-2 1h-one,5-bromo-2 1h-pyrimidinone,5-bromopyrimidin-2-one,5-bromo-pyrimidin-2-ol,2-pyrimidinol, 5-bromo PubChem CID: 101494 IUPAC Name: 5-bromo-1H-pyrimidin-2-one SMILES: C1=C(C=NC(=O)N1)Br
| PubChem CID | 101494 |
|---|---|
| CAS | 38353-06-9 |
| Molecular Weight (g/mol) | 174.985 |
| SMILES | C1=C(C=NC(=O)N1)Br |
| Synonym | 5-bromo-2-hydroxypyrimidine,5-bromopyrimidin-2-ol,5-bromo-2-pyrimidinol,5-bromo-2-pyrimidinone,2 1h-pyrimidinone, 5-bromo,5-bromopyrimidin-2 1h-one,5-bromo-2 1h-pyrimidinone,5-bromopyrimidin-2-one,5-bromo-pyrimidin-2-ol,2-pyrimidinol, 5-bromo |
| IUPAC Name | 5-bromo-1H-pyrimidin-2-one |
| InChI Key | VTUDATOSQGYWML-UHFFFAOYSA-N |
| Molecular Formula | C4H3BrN2O |
6-Bromo-2-pyridinecarboxylic Acid 98.0+%, TCI America™
CAS: 21190-87-4 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.007 MDL Number: MFCD00093197 InChI Key: XURXQNUIGWHWHU-UHFFFAOYSA-N Synonym: 6-bromopicolinic acid,6-bromo-2-pyridinecarboxylic acid,6-bromo-2-pyridine carboxylic acid,2-pyridinecarboxylic acid, 6-bromo,2-bromo pyridine-6-carboxylic acid,2-bromopyridine-6-carboxylic acid,2-bromo-6-pyridinecarboxylic acid,6-bromo-pyridine-2-carboxylic acid,6-bromopicolinicacid,pubchem2422 PubChem CID: 593919 IUPAC Name: 6-bromopyridine-2-carboxylic acid SMILES: C1=CC(=NC(=C1)Br)C(=O)O
| PubChem CID | 593919 |
|---|---|
| CAS | 21190-87-4 |
| Molecular Weight (g/mol) | 202.007 |
| MDL Number | MFCD00093197 |
| SMILES | C1=CC(=NC(=C1)Br)C(=O)O |
| Synonym | 6-bromopicolinic acid,6-bromo-2-pyridinecarboxylic acid,6-bromo-2-pyridine carboxylic acid,2-pyridinecarboxylic acid, 6-bromo,2-bromo pyridine-6-carboxylic acid,2-bromopyridine-6-carboxylic acid,2-bromo-6-pyridinecarboxylic acid,6-bromo-pyridine-2-carboxylic acid,6-bromopicolinicacid,pubchem2422 |
| IUPAC Name | 6-bromopyridine-2-carboxylic acid |
| InChI Key | XURXQNUIGWHWHU-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
6-Bromo-2-methylquinoline 98.0+%, TCI America™
CAS: 877-42-9 Molecular Formula: C10H8BrN Molecular Weight (g/mol): 222.085 MDL Number: MFCD00079724 InChI Key: SQRYQSKJZVQJAY-UHFFFAOYSA-N Synonym: 6-bromoquinaldine,2-methyl-6-bromoquinoline,6-bromo-2-methyl-quinoline,quinoline, 6-bromo-2-methyl,6-bromo-2-methyl-1-azanaphthalene,zlchem 926,pubchem5882,acmc-209qps,ksc494e7l PubChem CID: 522885 IUPAC Name: 6-bromo-2-methylquinoline SMILES: CC1=NC2=C(C=C1)C=C(C=C2)Br
| PubChem CID | 522885 |
|---|---|
| CAS | 877-42-9 |
| Molecular Weight (g/mol) | 222.085 |
| MDL Number | MFCD00079724 |
| SMILES | CC1=NC2=C(C=C1)C=C(C=C2)Br |
| Synonym | 6-bromoquinaldine,2-methyl-6-bromoquinoline,6-bromo-2-methyl-quinoline,quinoline, 6-bromo-2-methyl,6-bromo-2-methyl-1-azanaphthalene,zlchem 926,pubchem5882,acmc-209qps,ksc494e7l |
| IUPAC Name | 6-bromo-2-methylquinoline |
| InChI Key | SQRYQSKJZVQJAY-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrN |
9-(4-Bromophenyl)carbazole 98.0+%, TCI America™
CAS: 57102-42-8 Molecular Formula: C18H12BrN Molecular Weight (g/mol): 322.205 MDL Number: MFCD11617969 InChI Key: XSDKKRKTDZMKCH-UHFFFAOYSA-N Synonym: 9-4-bromophenyl-9h-carbazole,9-4-bromophenyl carbazole,9-4-bromo-phenyl-9h-carbazole,9h-carbazole, 9-4-bromophenyl,acmc-209lw0,n-4-bromophenyl carbazole,amth018 PubChem CID: 22361390 IUPAC Name: 9-(4-bromophenyl)carbazole SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)Br
| PubChem CID | 22361390 |
|---|---|
| CAS | 57102-42-8 |
| Molecular Weight (g/mol) | 322.205 |
| MDL Number | MFCD11617969 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)Br |
| Synonym | 9-4-bromophenyl-9h-carbazole,9-4-bromophenyl carbazole,9-4-bromo-phenyl-9h-carbazole,9h-carbazole, 9-4-bromophenyl,acmc-209lw0,n-4-bromophenyl carbazole,amth018 |
| IUPAC Name | 9-(4-bromophenyl)carbazole |
| InChI Key | XSDKKRKTDZMKCH-UHFFFAOYSA-N |
| Molecular Formula | C18H12BrN |
4-Amino-1-phenylpyrazolo[3,4-d]pyrimidine 98.0+%, TCI America™
CAS: 5334-30-5 Molecular Formula: C11H9N5 Molecular Weight (g/mol): 211.23 MDL Number: MFCD00022901 InChI Key: KKDPIZPUTYIBFX-UHFFFAOYSA-N Synonym: 4-amino-1-phenylpyrazolo 3,4-d pyrimidine,1-phenyl-1h-pyrazolo 3,4-d pyrimidin-4-amine,pp3,pp 3,1-phenylpyrazolo 3,4-d pyrimidin-4-amine,chembl65063,1-phenyl-1h-pyrazolo 3,4-d pyrimidin-4-ylamine,4-amino-7-phenylpyrazol 3,4-d pyrimidine,4-amino-1-phenylpyrazolo 3,4-e pyrimidine,1h-pyrazolo 3,4-d pyrimidin-4-amine, 1-phenyl PubChem CID: 4879 IUPAC Name: 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine SMILES: NC1=C2C=NN(C2=NC=N1)C1=CC=CC=C1
| PubChem CID | 4879 |
|---|---|
| CAS | 5334-30-5 |
| Molecular Weight (g/mol) | 211.23 |
| MDL Number | MFCD00022901 |
| SMILES | NC1=C2C=NN(C2=NC=N1)C1=CC=CC=C1 |
| Synonym | 4-amino-1-phenylpyrazolo 3,4-d pyrimidine,1-phenyl-1h-pyrazolo 3,4-d pyrimidin-4-amine,pp3,pp 3,1-phenylpyrazolo 3,4-d pyrimidin-4-amine,chembl65063,1-phenyl-1h-pyrazolo 3,4-d pyrimidin-4-ylamine,4-amino-7-phenylpyrazol 3,4-d pyrimidine,4-amino-1-phenylpyrazolo 3,4-e pyrimidine,1h-pyrazolo 3,4-d pyrimidin-4-amine, 1-phenyl |
| IUPAC Name | 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| InChI Key | KKDPIZPUTYIBFX-UHFFFAOYSA-N |
| Molecular Formula | C11H9N5 |
3,5-Bis(trifluoromethyl)pyrazole 98.0+%, TCI America™
CAS: 14704-41-7 Molecular Formula: C5H2F6N2 Molecular Weight (g/mol): 204.075 MDL Number: MFCD00153672 InChI Key: NGDDUAYSWPUSLX-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole PubChem CID: 518991 IUPAC Name: 3,5-bis(trifluoromethyl)-1H-pyrazole SMILES: C1=C(NN=C1C(F)(F)F)C(F)(F)F
| PubChem CID | 518991 |
|---|---|
| CAS | 14704-41-7 |
| Molecular Weight (g/mol) | 204.075 |
| MDL Number | MFCD00153672 |
| SMILES | C1=C(NN=C1C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl-1h-pyrazole,3,5-bis trifluoromethyl pyrazole,1h-pyrazole,3,5-bis trifluoromethyl,1h-pyrazole, 3,5-bis trifluoromethyl,3,3-bis trifluoromethyl pyrazol,3,5-bis trifluoromethyl pyrazol,3,5-bis-trifluoromethyl-1h-pyrazole,bis trifluoromethyl pyrazole,3,5-di trifluoromethyl-1h-pyrazole |
| IUPAC Name | 3,5-bis(trifluoromethyl)-1H-pyrazole |
| InChI Key | NGDDUAYSWPUSLX-UHFFFAOYSA-N |
| Molecular Formula | C5H2F6N2 |
5-Bromo-2-thiophenemethanol 97.0+%, TCI America™
CAS: 79387-71-6 Molecular Formula: C5H5BrOS Molecular Weight (g/mol): 193.06 MDL Number: MFCD06202626 InChI Key: DBRSLMCLMMFHEF-UHFFFAOYSA-N PubChem CID: 11435467 IUPAC Name: (5-bromothiophen-2-yl)methanol SMILES: OCC1=CC=C(Br)S1
| PubChem CID | 11435467 |
|---|---|
| CAS | 79387-71-6 |
| Molecular Weight (g/mol) | 193.06 |
| MDL Number | MFCD06202626 |
| SMILES | OCC1=CC=C(Br)S1 |
| IUPAC Name | (5-bromothiophen-2-yl)methanol |
| InChI Key | DBRSLMCLMMFHEF-UHFFFAOYSA-N |
| Molecular Formula | C5H5BrOS |
4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole 97.0+%, TCI America™
CAS: 457931-23-6 Molecular Formula: C30H38Br2N2S3 Molecular Weight (g/mol): 682.636 InChI Key: AMYLTENEOQNKGO-UHFFFAOYSA-N PubChem CID: 102243665 IUPAC Name: 4,7-bis(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazole SMILES: CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCC)Br
| PubChem CID | 102243665 |
|---|---|
| CAS | 457931-23-6 |
| Molecular Weight (g/mol) | 682.636 |
| SMILES | CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCC)Br |
| IUPAC Name | 4,7-bis(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazole |
| InChI Key | AMYLTENEOQNKGO-UHFFFAOYSA-N |
| Molecular Formula | C30H38Br2N2S3 |
2-(4-tert-Butylphenyl)pyridine 97.0+%, TCI America™
CAS: 524713-66-4 Molecular Formula: C15H17N Molecular Weight (g/mol): 211.31 MDL Number: MFCD07775634 InChI Key: RHXQSMVSBYAGQV-UHFFFAOYSA-N PubChem CID: 12984537 IUPAC Name: 2-(4-tert-butylphenyl)pyridine SMILES: CC(C)(C)C1=CC=C(C=C1)C1=CC=CC=N1
| PubChem CID | 12984537 |
|---|---|
| CAS | 524713-66-4 |
| Molecular Weight (g/mol) | 211.31 |
| MDL Number | MFCD07775634 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C1=CC=CC=N1 |
| IUPAC Name | 2-(4-tert-butylphenyl)pyridine |
| InChI Key | RHXQSMVSBYAGQV-UHFFFAOYSA-N |
| Molecular Formula | C15H17N |
1-tert-Butoxycarbonyl-3-cyano-4-pyrrolidone 98.0+%, TCI America™
CAS: 175463-32-8 Molecular Formula: C10H14N2O3 Molecular Weight (g/mol): 210.233 MDL Number: MFCD01318456 InChI Key: RKUQLKRPWWYRIG-UHFFFAOYSA-N Synonym: 1-boc-3-cyano-4-oxopyrrolidine,1-boc-3-cyano-4-pyrrolidinone,1-n-boc-3-cyanopyrrolidin-4-one,n-boc-3-cyano-4-pyrrolidinone,tert-butyl 3-cyano-4-oxo-pyrrolidine-1-carboxylate,1-n-boc-3-cyano-pyrrolidinone-4,4-cyano-1-n-boc pyrrolidin-3-one,1-n-boc-4-cyano-pyrrolidine-3-one,1-boc-3-cyano-4-pyrrolidone,1-n-boc-3-cyanopyrrolidone-4 PubChem CID: 2756790 IUPAC Name: tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CC(C(=O)C1)C#N
| PubChem CID | 2756790 |
|---|---|
| CAS | 175463-32-8 |
| Molecular Weight (g/mol) | 210.233 |
| MDL Number | MFCD01318456 |
| SMILES | CC(C)(C)OC(=O)N1CC(C(=O)C1)C#N |
| Synonym | 1-boc-3-cyano-4-oxopyrrolidine,1-boc-3-cyano-4-pyrrolidinone,1-n-boc-3-cyanopyrrolidin-4-one,n-boc-3-cyano-4-pyrrolidinone,tert-butyl 3-cyano-4-oxo-pyrrolidine-1-carboxylate,1-n-boc-3-cyano-pyrrolidinone-4,4-cyano-1-n-boc pyrrolidin-3-one,1-n-boc-4-cyano-pyrrolidine-3-one,1-boc-3-cyano-4-pyrrolidone,1-n-boc-3-cyanopyrrolidone-4 |
| IUPAC Name | tert-butyl 3-cyano-4-oxopyrrolidine-1-carboxylate |
| InChI Key | RKUQLKRPWWYRIG-UHFFFAOYSA-N |
| Molecular Formula | C10H14N2O3 |
5-Aminonicotinic Acid 98.0+%, TCI America™
CAS: 24242-19-1 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD00129116 InChI Key: BYIORJAACCWFPU-UHFFFAOYSA-N Synonym: 5-aminonicotinic acid,5-amino-nicotinic acid,5-aminonicotinicacid,3-pyridinecarboxylic acid, 5-amino,5-amino nicotinic acid,5-amino-3-carboxypyridine,5-amino-3-pyridinecarboxylic acid,zlchem 307,pubchem15914,acmc-209ga2 PubChem CID: 354316 ChEBI: CHEBI:68578 IUPAC Name: 5-aminopyridine-3-carboxylic acid SMILES: C1=C(C=NC=C1N)C(=O)O
| PubChem CID | 354316 |
|---|---|
| CAS | 24242-19-1 |
| Molecular Weight (g/mol) | 138.126 |
| ChEBI | CHEBI:68578 |
| MDL Number | MFCD00129116 |
| SMILES | C1=C(C=NC=C1N)C(=O)O |
| Synonym | 5-aminonicotinic acid,5-amino-nicotinic acid,5-aminonicotinicacid,3-pyridinecarboxylic acid, 5-amino,5-amino nicotinic acid,5-amino-3-carboxypyridine,5-amino-3-pyridinecarboxylic acid,zlchem 307,pubchem15914,acmc-209ga2 |
| IUPAC Name | 5-aminopyridine-3-carboxylic acid |
| InChI Key | BYIORJAACCWFPU-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |