Organoheterocyclic compounds
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5-Hydroxyisophthalic acid, 98%
CAS: 618-83-7 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.131 MDL Number: MFCD00002515 InChI Key: QNVNLUSHGRBCLO-UHFFFAOYSA-N Synonym: 5-hydroxyisophthalic acid,5-oxyisophthalic acid,isophthalic acid, 5-hydroxy,1,3-benzenedicarboxylic acid, 5-hydroxy,5-hydoxyisophthalic acid,5-hydroxy-isophthalic acid,5-hydroxy-1,3-benzenedicarboxylic acid,5-hydroxyisosphthalic acid,isophthalic acid, 5-hydroxy-6ci,7ci,8ci,5-hydroxyisophthalicacid PubChem CID: 69257 IUPAC Name: 5-hydroxybenzene-1,3-dicarboxylic acid SMILES: C1=C(C=C(C=C1C(=O)O)O)C(=O)O
| PubChem CID | 69257 |
|---|---|
| CAS | 618-83-7 |
| Molecular Weight (g/mol) | 182.131 |
| MDL Number | MFCD00002515 |
| SMILES | C1=C(C=C(C=C1C(=O)O)O)C(=O)O |
| Synonym | 5-hydroxyisophthalic acid,5-oxyisophthalic acid,isophthalic acid, 5-hydroxy,1,3-benzenedicarboxylic acid, 5-hydroxy,5-hydoxyisophthalic acid,5-hydroxy-isophthalic acid,5-hydroxy-1,3-benzenedicarboxylic acid,5-hydroxyisosphthalic acid,isophthalic acid, 5-hydroxy-6ci,7ci,8ci,5-hydroxyisophthalicacid |
| IUPAC Name | 5-hydroxybenzene-1,3-dicarboxylic acid |
| InChI Key | QNVNLUSHGRBCLO-UHFFFAOYSA-N |
| Molecular Formula | C8H6O5 |
5-Aminoisophthalic acid, 98%
CAS: 99-31-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00002522 InChI Key: KBZFDRWPMZESDI-UHFFFAOYSA-N Synonym: 5-aminoisophthalic acid,1,3-benzenedicarboxylic acid, 5-amino,5-amino-1,3-isophthalic acid,isophthalic acid, 5-amino,5-amino-1,3-benzenedicarboxylic acid,3,5-dicarboxyaniline,5-aminoisophtalic acid,3,5-dicarboxy-aniline,pubchem20539,anhydrous PubChem CID: 66833 IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid SMILES: C1=C(C=C(C=C1C(=O)O)N)C(=O)O
| PubChem CID | 66833 |
|---|---|
| CAS | 99-31-0 |
| Molecular Weight (g/mol) | 181.15 |
| MDL Number | MFCD00002522 |
| SMILES | C1=C(C=C(C=C1C(=O)O)N)C(=O)O |
| Synonym | 5-aminoisophthalic acid,1,3-benzenedicarboxylic acid, 5-amino,5-amino-1,3-isophthalic acid,isophthalic acid, 5-amino,5-amino-1,3-benzenedicarboxylic acid,3,5-dicarboxyaniline,5-aminoisophtalic acid,3,5-dicarboxy-aniline,pubchem20539,anhydrous |
| IUPAC Name | 5-aminobenzene-1,3-dicarboxylic acid |
| InChI Key | KBZFDRWPMZESDI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
DL-Thioctic acid, 98-99%, MP Biomedicals™
CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(1,2-dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1
| PubChem CID | 864 |
|---|---|
| CAS | 1077-28-7 |
| Molecular Weight (g/mol) | 206.32 |
| ChEBI | CHEBI:16494 |
| MDL Number | MFCD00005474 |
| SMILES | OC(=O)CCCCC1CCSS1 |
| Synonym | dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid |
| IUPAC Name | 5-(1,2-dithiolan-3-yl)pentanoic acid |
| InChI Key | AGBQKNBQESQNJD-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2S2 |
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 |
3-Bromo-2-hydroxypyridine, 97%, Thermo Scientific™
CAS: 13466-43-8 Molecular Formula: C5H4BrNO Molecular Weight (g/mol): 174.00 MDL Number: MFCD03411569 InChI Key: YDUGVOUXNSWQSW-UHFFFAOYSA-N Synonym: 3-bromo-2-hydroxypyridine,3-bromopyridin-2-ol,3-bromopyridin-2 1h-one,3-bromo-2-pyridinol,3-bromo-2 1h-pyridinone,2 1h-pyridinone, 3-bromo,2-hydroxy-3-bromopyridine,3-bromo-2 1h-pyridone,bromopyridone,3-bromopyridone PubChem CID: 818549 IUPAC Name: 3-bromo-1H-pyridin-2-one SMILES: BrC1=CC=CNC1=O
| PubChem CID | 818549 |
|---|---|
| CAS | 13466-43-8 |
| Molecular Weight (g/mol) | 174.00 |
| MDL Number | MFCD03411569 |
| SMILES | BrC1=CC=CNC1=O |
| Synonym | 3-bromo-2-hydroxypyridine,3-bromopyridin-2-ol,3-bromopyridin-2 1h-one,3-bromo-2-pyridinol,3-bromo-2 1h-pyridinone,2 1h-pyridinone, 3-bromo,2-hydroxy-3-bromopyridine,3-bromo-2 1h-pyridone,bromopyridone,3-bromopyridone |
| IUPAC Name | 3-bromo-1H-pyridin-2-one |
| InChI Key | YDUGVOUXNSWQSW-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO |
5-Bromo-1H-pyrazolo[3,4-b]pyridine, 95%
CAS: 875781-17-2 Molecular Formula: C6H4BrN3 Molecular Weight (g/mol): 198.023 MDL Number: MFCD05663982 InChI Key: BASYLPMLKGQZOG-UHFFFAOYSA-N Synonym: 5-bromo-1h-pyrazolo 3,4-b pyridine,5-bromo-2h-pyrazolo 3,4-b pyridine,5-bromo-1h-pyrazo 3,4-b pyridine,1h-pyrazolo 3,4-b pyridine, 5-bromo,5-bromo-7-azaindazole,pubchem17877,acmc-209qoi,7-aza-5-bromo-1h-indole,ksc496o5j,5-bromopyrazolo 3,4-b pyridine PubChem CID: 40427454 IUPAC Name: 5-bromo-1H-pyrazolo[3,4-b]pyridine SMILES: C1=C2C=NNC2=NC=C1Br
| PubChem CID | 40427454 |
|---|---|
| CAS | 875781-17-2 |
| Molecular Weight (g/mol) | 198.023 |
| MDL Number | MFCD05663982 |
| SMILES | C1=C2C=NNC2=NC=C1Br |
| Synonym | 5-bromo-1h-pyrazolo 3,4-b pyridine,5-bromo-2h-pyrazolo 3,4-b pyridine,5-bromo-1h-pyrazo 3,4-b pyridine,1h-pyrazolo 3,4-b pyridine, 5-bromo,5-bromo-7-azaindazole,pubchem17877,acmc-209qoi,7-aza-5-bromo-1h-indole,ksc496o5j,5-bromopyrazolo 3,4-b pyridine |
| IUPAC Name | 5-bromo-1H-pyrazolo[3,4-b]pyridine |
| InChI Key | BASYLPMLKGQZOG-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrN3 |
3-Aminopyridine, 99%
CAS: 462-08-8 Molecular Formula: C5H6N2 Molecular Weight (g/mol): 94.12 MDL Number: MFCD00006400 InChI Key: CUYKNJBYIJFRCU-UHFFFAOYSA-N Synonym: 3-aminopyridine,3-pyridinamine,3-pyridylamine,pyridin-3-ylamine,m-aminopyridine,amino-3 pyridine,pyridine, 3-amino,3-amino pyridine,beta-aminopyridine,amino-3-pyridine PubChem CID: 10009 IUPAC Name: pyridin-3-amine SMILES: NC1=CC=CN=C1
| PubChem CID | 10009 |
|---|---|
| CAS | 462-08-8 |
| Molecular Weight (g/mol) | 94.12 |
| MDL Number | MFCD00006400 |
| SMILES | NC1=CC=CN=C1 |
| Synonym | 3-aminopyridine,3-pyridinamine,3-pyridylamine,pyridin-3-ylamine,m-aminopyridine,amino-3 pyridine,pyridine, 3-amino,3-amino pyridine,beta-aminopyridine,amino-3-pyridine |
| IUPAC Name | pyridin-3-amine |
| InChI Key | CUYKNJBYIJFRCU-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2 |
5-Bromo-2-hydroxypyridine, 97%
CAS: 13466-38-1 Molecular Formula: C5H4BrNO Molecular Weight (g/mol): 173.997 MDL Number: MFCD00234042 InChI Key: NDMZZQRNZFWMEZ-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxypyridine,5-bromopyridin-2-ol,2-hydroxy-5-bromopyridine,5-bromopyridin-2 1h-one,5-bromo-2-pyridinol,5-bromo-2 1h-pyridinone,5-bromo-2 1h-pyridone,2 1h-pyridinone, 5-bromo,3-bromo-6-hydroxypyridine,5-bromo-1,2-dihydropyridin-2-one PubChem CID: 599528 IUPAC Name: 5-bromo-1H-pyridin-2-one SMILES: C1=CC(=O)NC=C1Br
| PubChem CID | 599528 |
|---|---|
| CAS | 13466-38-1 |
| Molecular Weight (g/mol) | 173.997 |
| MDL Number | MFCD00234042 |
| SMILES | C1=CC(=O)NC=C1Br |
| Synonym | 5-bromo-2-hydroxypyridine,5-bromopyridin-2-ol,2-hydroxy-5-bromopyridine,5-bromopyridin-2 1h-one,5-bromo-2-pyridinol,5-bromo-2 1h-pyridinone,5-bromo-2 1h-pyridone,2 1h-pyridinone, 5-bromo,3-bromo-6-hydroxypyridine,5-bromo-1,2-dihydropyridin-2-one |
| IUPAC Name | 5-bromo-1H-pyridin-2-one |
| InChI Key | NDMZZQRNZFWMEZ-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO |
7-Azaindole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 479553-01-0 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD08272236 InChI Key: HPPPHDPVSYYWCH-UHFFFAOYSA-N Synonym: 1h-pyrrolo 2,3-b pyridine-4-carboxylic acid,7-azaindole-4-carboxylic acid,7-azaindole-4-carboxylic acid.,1h-pyrrolo 2,3-b pyridine-4 carboxylic acid PubChem CID: 22477426 IUPAC Name: 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid SMILES: C1=CNC2=NC=CC(=C21)C(=O)O
| PubChem CID | 22477426 |
|---|---|
| CAS | 479553-01-0 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD08272236 |
| SMILES | C1=CNC2=NC=CC(=C21)C(=O)O |
| Synonym | 1h-pyrrolo 2,3-b pyridine-4-carboxylic acid,7-azaindole-4-carboxylic acid,7-azaindole-4-carboxylic acid.,1h-pyrrolo 2,3-b pyridine-4 carboxylic acid |
| IUPAC Name | 1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
| InChI Key | HPPPHDPVSYYWCH-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
2,4-Pyridinedicarboxylic acid hydrate, 99+%
CAS: 499-80-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00149413 InChI Key: MJIVRKPEXXHNJT-UHFFFAOYSA-N Synonym: 2,4-pyridinedicarboxylic acid,lutidinic acid,2,4-lutidinic acid,2,4-pyridinedicarboxylicacid, hydrate 1:1,4nrq,pd2,4-carboxypicolinic acid,pubchem16314,pyridine carboxylate, 6a,acmc-1bnb9 PubChem CID: 10365 ChEBI: CHEBI:44737 IUPAC Name: pyridine-2,4-dicarboxylic acid SMILES: OC(=O)C1=CC=NC(=C1)C(O)=O
| PubChem CID | 10365 |
|---|---|
| CAS | 499-80-9 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:44737 |
| MDL Number | MFCD00149413 |
| SMILES | OC(=O)C1=CC=NC(=C1)C(O)=O |
| Synonym | 2,4-pyridinedicarboxylic acid,lutidinic acid,2,4-lutidinic acid,2,4-pyridinedicarboxylicacid, hydrate 1:1,4nrq,pd2,4-carboxypicolinic acid,pubchem16314,pyridine carboxylate, 6a,acmc-1bnb9 |
| IUPAC Name | pyridine-2,4-dicarboxylic acid |
| InChI Key | MJIVRKPEXXHNJT-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |
6-Chloro-5-nitro-2-picoline, 98%
CAS: 56057-19-3 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.5 MDL Number: MFCD03085820 InChI Key: UIEVSGOVFXWCIK-UHFFFAOYSA-N Synonym: 6-chloro-5-nitro-2-picoline,2-chloro-3-nitro-6-methylpyridine,2-chloro-3-nitro-6-picoline,2-chloro-3-nitro-6-methyl pyridine,2-chloro-6-methyl-3-nitro-pyridine,pyridine, 2-chloro-6-methyl-3-nitro,2-chloro-6-methyl-3-nitropyridine?,pubchem6175,acmc-209lqq PubChem CID: 1268230 IUPAC Name: 2-chloro-6-methyl-3-nitropyridine SMILES: CC1=NC(=C(C=C1)[N+](=O)[O-])Cl
| PubChem CID | 1268230 |
|---|---|
| CAS | 56057-19-3 |
| Molecular Weight (g/mol) | 172.5 |
| MDL Number | MFCD03085820 |
| SMILES | CC1=NC(=C(C=C1)[N+](=O)[O-])Cl |
| Synonym | 6-chloro-5-nitro-2-picoline,2-chloro-3-nitro-6-methylpyridine,2-chloro-3-nitro-6-picoline,2-chloro-3-nitro-6-methyl pyridine,2-chloro-6-methyl-3-nitro-pyridine,pyridine, 2-chloro-6-methyl-3-nitro,2-chloro-6-methyl-3-nitropyridine?,pubchem6175,acmc-209lqq |
| IUPAC Name | 2-chloro-6-methyl-3-nitropyridine |
| InChI Key | UIEVSGOVFXWCIK-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O2 |
2,3-Diaminopyridine, 98%
CAS: 452-58-4 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006319 InChI Key: ZZYXNRREDYWPLN-UHFFFAOYSA-N Synonym: 2,3-diaminopyridine,2,3-pyridinediamine,pyridine, 2,3-diamino,pyridine-2,3-diyldiamine,unii-cbx394737h,diaminopyridine,2,3-diamino-pyridine,pyridinediamine,pyridine,3-diamino,pubchem1296 PubChem CID: 9956 IUPAC Name: pyridine-2,3-diamine SMILES: NC1=CC=CN=C1N
| PubChem CID | 9956 |
|---|---|
| CAS | 452-58-4 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006319 |
| SMILES | NC1=CC=CN=C1N |
| Synonym | 2,3-diaminopyridine,2,3-pyridinediamine,pyridine, 2,3-diamino,pyridine-2,3-diyldiamine,unii-cbx394737h,diaminopyridine,2,3-diamino-pyridine,pyridinediamine,pyridine,3-diamino,pubchem1296 |
| IUPAC Name | pyridine-2,3-diamine |
| InChI Key | ZZYXNRREDYWPLN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
2,6-Dimethylquinoline, 98%
CAS: 877-43-0 Molecular Formula: C11H11N Molecular Weight (g/mol): 157.216 MDL Number: MFCD00006762 InChI Key: JJPSZKIOGBRMHK-UHFFFAOYSA-N Synonym: p-toluquinaldine,quinoline, 2,6-dimethyl,6-methylquinaldine,unii-kst0m1t4mb,2,6-dimethyl-quinoline,kst0m1t4mb,pubchem5876,quinoline,6-dimethyl,acmc-209qpt,2,6-dimethylquinoline; PubChem CID: 13414 IUPAC Name: 2,6-dimethylquinoline SMILES: CC1=CC2=C(C=C1)N=C(C=C2)C
| PubChem CID | 13414 |
|---|---|
| CAS | 877-43-0 |
| Molecular Weight (g/mol) | 157.216 |
| MDL Number | MFCD00006762 |
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2)C |
| Synonym | p-toluquinaldine,quinoline, 2,6-dimethyl,6-methylquinaldine,unii-kst0m1t4mb,2,6-dimethyl-quinoline,kst0m1t4mb,pubchem5876,quinoline,6-dimethyl,acmc-209qpt,2,6-dimethylquinoline; |
| IUPAC Name | 2,6-dimethylquinoline |
| InChI Key | JJPSZKIOGBRMHK-UHFFFAOYSA-N |
| Molecular Formula | C11H11N |
4-Bromo-2-hydroxypyridine, 97%
CAS: 36953-37-4 Molecular Formula: C5H4BrNO Molecular Weight (g/mol): 173.997 MDL Number: MFCD00234041 InChI Key: SSLMGOKTIUIZLY-UHFFFAOYSA-N Synonym: 4-bromo-2-hydroxypyridine,4-bromopyridin-2-ol,4-bromopyridin-2 1h-one,4-bromo-2-pyridinol,4-bromo-1,2-dihydropyridin-2-one,4-bromo-2 1h-pyridinone,4-bromo-2-pyridone,4-bromo-2-hydroxy pyridine,2-hydroxy-4-bromopyridine,2 1h-pyridinone, 4-bromo PubChem CID: 817115 IUPAC Name: 4-bromo-1H-pyridin-2-one SMILES: C1=CNC(=O)C=C1Br
| PubChem CID | 817115 |
|---|---|
| CAS | 36953-37-4 |
| Molecular Weight (g/mol) | 173.997 |
| MDL Number | MFCD00234041 |
| SMILES | C1=CNC(=O)C=C1Br |
| Synonym | 4-bromo-2-hydroxypyridine,4-bromopyridin-2-ol,4-bromopyridin-2 1h-one,4-bromo-2-pyridinol,4-bromo-1,2-dihydropyridin-2-one,4-bromo-2 1h-pyridinone,4-bromo-2-pyridone,4-bromo-2-hydroxy pyridine,2-hydroxy-4-bromopyridine,2 1h-pyridinone, 4-bromo |
| IUPAC Name | 4-bromo-1H-pyridin-2-one |
| InChI Key | SSLMGOKTIUIZLY-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO |
4-Nitropyridine N-oxide, 97%
CAS: 1124-33-0 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.10 MDL Number: MFCD00006206 InChI Key: RXKNNAKAVAHBNK-UHFFFAOYSA-N Synonym: 4-nitropyridine n-oxide,4-nitropyridine 1-oxide,4-nitropyridine-n-oxide,4-nitropyridine-1-oxide,pyridine, 4-nitro-, 1-oxide,4-nitropyridin-1-ium-1-olate,p-nitropyridine n-oxide,4-nitropyridine oxide,4-nitro-n-oxopyridine,4-nitro-1-oxido-pyridin-1-ium PubChem CID: 14300 SMILES: [O-][N+](=O)C1=CC=[N+]([O-])C=C1
| PubChem CID | 14300 |
|---|---|
| CAS | 1124-33-0 |
| Molecular Weight (g/mol) | 140.10 |
| MDL Number | MFCD00006206 |
| SMILES | [O-][N+](=O)C1=CC=[N+]([O-])C=C1 |
| Synonym | 4-nitropyridine n-oxide,4-nitropyridine 1-oxide,4-nitropyridine-n-oxide,4-nitropyridine-1-oxide,pyridine, 4-nitro-, 1-oxide,4-nitropyridin-1-ium-1-olate,p-nitropyridine n-oxide,4-nitropyridine oxide,4-nitro-n-oxopyridine,4-nitro-1-oxido-pyridin-1-ium |
| InChI Key | RXKNNAKAVAHBNK-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O3 |