Organoheterocyclic compounds
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3-Tetradecylthiophene 98.0+%, TCI America™
CAS: 110851-66-6 Molecular Formula: C18H32S Molecular Weight (g/mol): 280.51 MDL Number: MFCD09750675 InChI Key: CAEIOINMYGTXNS-UHFFFAOYSA-N PubChem CID: 14900816 IUPAC Name: 3-tetradecylthiophene SMILES: CCCCCCCCCCCCCCC1=CSC=C1
| PubChem CID | 14900816 |
|---|---|
| CAS | 110851-66-6 |
| Molecular Weight (g/mol) | 280.51 |
| MDL Number | MFCD09750675 |
| SMILES | CCCCCCCCCCCCCCC1=CSC=C1 |
| IUPAC Name | 3-tetradecylthiophene |
| InChI Key | CAEIOINMYGTXNS-UHFFFAOYSA-N |
| Molecular Formula | C18H32S |
2,3-Difluoropyridine 98.0+%, TCI America™
CAS: 1513-66-2 Molecular Formula: C5H3F2N Molecular Weight (g/mol): 115.083 MDL Number: MFCD04114143 InChI Key: OGVLEPMNNPZAPS-UHFFFAOYSA-N Synonym: 2,3-difluoro pyridine,difluoropyridine,pyridine, 2,3-difluoro,2,3-difluorpyridine,2,3-difluoropyridin,pubchem5414,2,3-difiuoropyridine?,acmc-1bvua,2,3-bis fluoranyl pyridine,ksc493a1t PubChem CID: 2783176 IUPAC Name: 2,3-difluoropyridine SMILES: C1=CC(=C(N=C1)F)F
| PubChem CID | 2783176 |
|---|---|
| CAS | 1513-66-2 |
| Molecular Weight (g/mol) | 115.083 |
| MDL Number | MFCD04114143 |
| SMILES | C1=CC(=C(N=C1)F)F |
| Synonym | 2,3-difluoro pyridine,difluoropyridine,pyridine, 2,3-difluoro,2,3-difluorpyridine,2,3-difluoropyridin,pubchem5414,2,3-difiuoropyridine?,acmc-1bvua,2,3-bis fluoranyl pyridine,ksc493a1t |
| IUPAC Name | 2,3-difluoropyridine |
| InChI Key | OGVLEPMNNPZAPS-UHFFFAOYSA-N |
| Molecular Formula | C5H3F2N |
6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione, 98%
CAS: 194421-56-2 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.154 MDL Number: MFCD12923551 InChI Key: DRMNZTFLOOSXIN-UHFFFAOYSA-N PubChem CID: 10749252 IUPAC Name: 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione SMILES: CC1(C2C1C(=O)NC2=O)C
| PubChem CID | 10749252 |
|---|---|
| CAS | 194421-56-2 |
| Molecular Weight (g/mol) | 139.154 |
| MDL Number | MFCD12923551 |
| SMILES | CC1(C2C1C(=O)NC2=O)C |
| IUPAC Name | 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione |
| InChI Key | DRMNZTFLOOSXIN-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2 |
2-Fluoro-4-(trifluoromethyl)pyridine 98.0+%, TCI America™
CAS: 118078-66-3 Molecular Formula: C6H3F4N Molecular Weight (g/mol): 165.091 MDL Number: MFCD09879262 InChI Key: DFNQBXZKPUBEIX-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl pyridine,2-fluoro-4-trifluoromethyl-pyridine,pyridine, 2-fluoro-4-trifluoromethyl,pubchem23563,acmc-1c7kk,2-fluoranyl-4-trifluoromethyl pyridine PubChem CID: 11159514 IUPAC Name: 2-fluoro-4-(trifluoromethyl)pyridine SMILES: C1=CN=C(C=C1C(F)(F)F)F
| PubChem CID | 11159514 |
|---|---|
| CAS | 118078-66-3 |
| Molecular Weight (g/mol) | 165.091 |
| MDL Number | MFCD09879262 |
| SMILES | C1=CN=C(C=C1C(F)(F)F)F |
| Synonym | 2-fluoro-4-trifluoromethyl pyridine,2-fluoro-4-trifluoromethyl-pyridine,pyridine, 2-fluoro-4-trifluoromethyl,pubchem23563,acmc-1c7kk,2-fluoranyl-4-trifluoromethyl pyridine |
| IUPAC Name | 2-fluoro-4-(trifluoromethyl)pyridine |
| InChI Key | DFNQBXZKPUBEIX-UHFFFAOYSA-N |
| Molecular Formula | C6H3F4N |
6-Hydroxynicotinic Acid 97.0+%, TCI America™
CAS: 5006-66-6 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006277 InChI Key: BLHCMGRVFXRYRN-UHFFFAOYSA-N Synonym: 6-hydroxynicotinic acid,2-hydroxy-5-pyridinecarboxylic acid,6-hydroxypyridine-3-carboxylic acid,6-hydroxy nicotinic acid,3-pyridinecarboxylic acid, 1,6-dihydro-6-oxo,2-hydroxypyridine-5-carboxylic acid,2-pyridone-5-carboxylic acid,6-hydroxy-nicotinic acid,6-hydroxynicotinate,1,6-dihydro-6-oxo-3-pyridinecarboxylic acid PubChem CID: 72924 ChEBI: CHEBI:16168 IUPAC Name: 6-oxo-1H-pyridine-3-carboxylic acid SMILES: C1=CC(=O)NC=C1C(=O)O
| PubChem CID | 72924 |
|---|---|
| CAS | 5006-66-6 |
| Molecular Weight (g/mol) | 139.11 |
| ChEBI | CHEBI:16168 |
| MDL Number | MFCD00006277 |
| SMILES | C1=CC(=O)NC=C1C(=O)O |
| Synonym | 6-hydroxynicotinic acid,2-hydroxy-5-pyridinecarboxylic acid,6-hydroxypyridine-3-carboxylic acid,6-hydroxy nicotinic acid,3-pyridinecarboxylic acid, 1,6-dihydro-6-oxo,2-hydroxypyridine-5-carboxylic acid,2-pyridone-5-carboxylic acid,6-hydroxy-nicotinic acid,6-hydroxynicotinate,1,6-dihydro-6-oxo-3-pyridinecarboxylic acid |
| IUPAC Name | 6-oxo-1H-pyridine-3-carboxylic acid |
| InChI Key | BLHCMGRVFXRYRN-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
1-Butyl-3-methylimidazolium Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 174899-66-2 Molecular Formula: C9H15F3N2O3S Molecular Weight (g/mol): 288.285 MDL Number: MFCD03427620 InChI Key: FRZPYEHDSAQGAS-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium trifluoromethanesulfonate,1-butyl-3-methylimidazolium trifluoromethansulfonate,1-butyl-3-methylimidazolium triflate,c4mim triflate,bmim otf,acmc-1bwln,basionics™ vs 12,dsstox_cid_29088,dsstox_rid_83307,dsstox_gsid_49232 PubChem CID: 2734246 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 2734246 |
|---|---|
| CAS | 174899-66-2 |
| Molecular Weight (g/mol) | 288.285 |
| MDL Number | MFCD03427620 |
| SMILES | CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | 1-butyl-3-methylimidazolium trifluoromethanesulfonate,1-butyl-3-methylimidazolium trifluoromethansulfonate,1-butyl-3-methylimidazolium triflate,c4mim triflate,bmim otf,acmc-1bwln,basionics™ vs 12,dsstox_cid_29088,dsstox_rid_83307,dsstox_gsid_49232 |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate |
| InChI Key | FRZPYEHDSAQGAS-UHFFFAOYSA-M |
| Molecular Formula | C9H15F3N2O3S |
2-Bromo-5-methylpyridine 98.0+%, TCI America™
CAS: 3510-66-5 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.025 MDL Number: MFCD00209553 InChI Key: YWNJQQNBJQUKME-UHFFFAOYSA-N Synonym: 2-bromo-5-picoline,6-bromo-3-picoline,2-bromo-5-methyl-pyridine,pyridine, 2-bromo-5-methyl,2-bromo-5-methyl pyridine,5-methyl-2-bromopyridine,2-brom-5-methylpyridin,pubchem1185 PubChem CID: 564216 IUPAC Name: 2-bromo-5-methylpyridine SMILES: CC1=CN=C(C=C1)Br
| PubChem CID | 564216 |
|---|---|
| CAS | 3510-66-5 |
| Molecular Weight (g/mol) | 172.025 |
| MDL Number | MFCD00209553 |
| SMILES | CC1=CN=C(C=C1)Br |
| Synonym | 2-bromo-5-picoline,6-bromo-3-picoline,2-bromo-5-methyl-pyridine,pyridine, 2-bromo-5-methyl,2-bromo-5-methyl pyridine,5-methyl-2-bromopyridine,2-brom-5-methylpyridin,pubchem1185 |
| IUPAC Name | 2-bromo-5-methylpyridine |
| InChI Key | YWNJQQNBJQUKME-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
3-Nitro-4-quinolinol 98.0+%, TCI America™
CAS: 50332-66-6 Molecular Formula: C9H6N2O3 Molecular Weight (g/mol): 190.158 MDL Number: MFCD00277722 InChI Key: ZWISCKSGNCMAQO-UHFFFAOYSA-N Synonym: 4-Hydroxy-3-nitroquinoline PubChem CID: 316988 IUPAC Name: 3-nitro-1H-quinolin-4-one SMILES: C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-]
| PubChem CID | 316988 |
|---|---|
| CAS | 50332-66-6 |
| Molecular Weight (g/mol) | 190.158 |
| MDL Number | MFCD00277722 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CN2)[N+](=O)[O-] |
| Synonym | 4-Hydroxy-3-nitroquinoline |
| IUPAC Name | 3-nitro-1H-quinolin-4-one |
| InChI Key | ZWISCKSGNCMAQO-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O3 |
3-Bromo-9-(4-bromophenyl)-9H-carbazole 97.0+%, TCI America™
CAS: 1226860-66-7 Molecular Formula: C18H11Br2N Molecular Weight (g/mol): 401.10 MDL Number: MFCD30063199 InChI Key: ZUNLPNWEQKBULG-UHFFFAOYSA-N PubChem CID: 66797808 IUPAC Name: 3-bromo-9-(4-bromophenyl)-9H-carbazole SMILES: BrC1=CC=C(C=C1)N1C2=C(C=CC=C2)C2=C1C=CC(Br)=C2
| PubChem CID | 66797808 |
|---|---|
| CAS | 1226860-66-7 |
| Molecular Weight (g/mol) | 401.10 |
| MDL Number | MFCD30063199 |
| SMILES | BrC1=CC=C(C=C1)N1C2=C(C=CC=C2)C2=C1C=CC(Br)=C2 |
| IUPAC Name | 3-bromo-9-(4-bromophenyl)-9H-carbazole |
| InChI Key | ZUNLPNWEQKBULG-UHFFFAOYSA-N |
| Molecular Formula | C18H11Br2N |
5-Fluoronicotinic Acid 98.0+%, TCI America™
CAS: 402-66-4 Molecular Formula: C6H4FNO2 Molecular Weight (g/mol): 141.10 MDL Number: MFCD01318537 InChI Key: BXZSBDDOYIWMGC-UHFFFAOYSA-N Synonym: 5-fluoronicotinic acid,5-fluoro-3-pyridinecarboxylic acid,5-fluoro-nicotinic acid,3-pyridinecarboxylic acid, 5-fluoro,nicotinic acid, 5-fluoro,3-fluoro-5-carboxypyridine,3-fluoro-5-pyridinecarboxylic acid,5-fluoronicotinicacid,pubchem10942 PubChem CID: 120232 IUPAC Name: 5-fluoropyridine-3-carboxylic acid SMILES: OC(=O)C1=CN=CC(F)=C1
| PubChem CID | 120232 |
|---|---|
| CAS | 402-66-4 |
| Molecular Weight (g/mol) | 141.10 |
| MDL Number | MFCD01318537 |
| SMILES | OC(=O)C1=CN=CC(F)=C1 |
| Synonym | 5-fluoronicotinic acid,5-fluoro-3-pyridinecarboxylic acid,5-fluoro-nicotinic acid,3-pyridinecarboxylic acid, 5-fluoro,nicotinic acid, 5-fluoro,3-fluoro-5-carboxypyridine,3-fluoro-5-pyridinecarboxylic acid,5-fluoronicotinicacid,pubchem10942 |
| IUPAC Name | 5-fluoropyridine-3-carboxylic acid |
| InChI Key | BXZSBDDOYIWMGC-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO2 |
Imidazo[1,5-a]pyridine-3-carboxaldehyde 98.0+%, TCI America™
CAS: 56671-66-0 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 MDL Number: MFCD08752619 InChI Key: UFDFAMUXKRGTJE-UHFFFAOYSA-N Synonym: 3-Formylimidazo[1,5-a]pyridine PubChem CID: 12222777 IUPAC Name: imidazo[1,5-a]pyridine-3-carbaldehyde SMILES: O=CC1=NC=C2C=CC=CN12
| PubChem CID | 12222777 |
|---|---|
| CAS | 56671-66-0 |
| Molecular Weight (g/mol) | 146.15 |
| MDL Number | MFCD08752619 |
| SMILES | O=CC1=NC=C2C=CC=CN12 |
| Synonym | 3-Formylimidazo[1,5-a]pyridine |
| IUPAC Name | imidazo[1,5-a]pyridine-3-carbaldehyde |
| InChI Key | UFDFAMUXKRGTJE-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O |
Psoralen 99.0+%, TCI America™
CAS: 66-97-7 Molecular Formula: C11H6O3 Molecular Weight (g/mol): 186.17 MDL Number: MFCD00010520 InChI Key: ZCCUUQDIBDJBTK-UHFFFAOYSA-N Synonym: psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin PubChem CID: 6199 ChEBI: CHEBI:27616 IUPAC Name: 7H-furo[3,2-g]chromen-7-one SMILES: O=C1OC2=CC3=C(C=CO3)C=C2C=C1
| PubChem CID | 6199 |
|---|---|
| CAS | 66-97-7 |
| Molecular Weight (g/mol) | 186.17 |
| ChEBI | CHEBI:27616 |
| MDL Number | MFCD00010520 |
| SMILES | O=C1OC2=CC3=C(C=CO3)C=C2C=C1 |
| Synonym | psoralen,ficusin,7h-furo 3,2-g chromen-7-one,furocoumarin,psoralene,7h-furo 3,2-g 1 benzopyran-7-one,psorline-p,6,7-furanocoumarin,furo 3,2-g chromen-7-one,furo 3,2-g coumarin |
| IUPAC Name | 7H-furo[3,2-g]chromen-7-one |
| InChI Key | ZCCUUQDIBDJBTK-UHFFFAOYSA-N |
| Molecular Formula | C11H6O3 |
3,4-Methylenedioxyaniline 98.0+%, TCI America™
CAS: 14268-66-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00005832 InChI Key: XGNXYCFREOZBOL-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy aniline,benzo d 1,3 dioxol-5-amine,5-amino-1,3-benzodioxole,3,4-methylenedioxyaniline,4-amino-1,2-methylenedioxybenzene,5-aminobenzodioxole,methylenedioxyaniline,2h-1,3-benzodioxol-5-amine,1-amino-3,4-methylenedioxybenzene,1-amino-3,4-dimethylenedioxybenzene PubChem CID: 84310 IUPAC Name: 1,3-benzodioxol-5-amine SMILES: C1OC2=C(O1)C=C(C=C2)N
| PubChem CID | 84310 |
|---|---|
| CAS | 14268-66-7 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00005832 |
| SMILES | C1OC2=C(O1)C=C(C=C2)N |
| Synonym | 3,4-methylenedioxy aniline,benzo d 1,3 dioxol-5-amine,5-amino-1,3-benzodioxole,3,4-methylenedioxyaniline,4-amino-1,2-methylenedioxybenzene,5-aminobenzodioxole,methylenedioxyaniline,2h-1,3-benzodioxol-5-amine,1-amino-3,4-methylenedioxybenzene,1-amino-3,4-dimethylenedioxybenzene |
| IUPAC Name | 1,3-benzodioxol-5-amine |
| InChI Key | XGNXYCFREOZBOL-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
3,4-Dihydro-6-hydroxy-2(1H)-quinolinone 98.0+%, TCI America™
CAS: 54197-66-9 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD02179410 InChI Key: HOSGXJWQVBHGLT-UHFFFAOYSA-N Synonym: 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone, 6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline PubChem CID: 2774040 IUPAC Name: 6-hydroxy-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=C(C=C2)O
| PubChem CID | 2774040 |
|---|---|
| CAS | 54197-66-9 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD02179410 |
| SMILES | C1CC(=O)NC2=C1C=C(C=C2)O |
| Synonym | 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone, 6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 6-hydroxy-3,4-dihydro-1H-quinolin-2-one |
| InChI Key | HOSGXJWQVBHGLT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 97.0+%, TCI America™
CAS: 1195-66-0 Molecular Formula: C7H15BO3 Molecular Weight (g/mol): 158.00 MDL Number: MFCD03093086 InChI Key: JZZJAWSMSXCSIB-UHFFFAOYSA-N Synonym: methoxyboronic acid pinacol ester,methoxyboronic acid, pinacol ester,2-methoxy-4,4,5,5-tetramethyl 1,3,2-dioxaborolane,1,3,2-dioxaborolane, 2-methoxy-4,4,5,5-tetramethyl,zlchem 167,methyl pinacolyl borate,acmc-209a3a,ksc498e3h,methoxy boronic acid pinacol ester,2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborole PubChem CID: 10975759 IUPAC Name: 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: COB1OC(C)(C)C(C)(C)O1
| PubChem CID | 10975759 |
|---|---|
| CAS | 1195-66-0 |
| Molecular Weight (g/mol) | 158.00 |
| MDL Number | MFCD03093086 |
| SMILES | COB1OC(C)(C)C(C)(C)O1 |
| Synonym | methoxyboronic acid pinacol ester,methoxyboronic acid, pinacol ester,2-methoxy-4,4,5,5-tetramethyl 1,3,2-dioxaborolane,1,3,2-dioxaborolane, 2-methoxy-4,4,5,5-tetramethyl,zlchem 167,methyl pinacolyl borate,acmc-209a3a,ksc498e3h,methoxy boronic acid pinacol ester,2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborole |
| IUPAC Name | 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | JZZJAWSMSXCSIB-UHFFFAOYSA-N |
| Molecular Formula | C7H15BO3 |