Organoheterocyclic compounds
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1,1'-Difluoro-2,2'-bipyridinium Bis(tetrafluoroborate) 95.0+%, TCI America™
CAS: 178439-26-4 Molecular Formula: C10H8B2F10N2 Molecular Weight (g/mol): 367.792 MDL Number: MFCD01073546 InChI Key: IDFABAACDRPWQX-UHFFFAOYSA-N Synonym: 1,1'-difluoro-2,2'-bipyridinium bis tetrafluoroborate,1,1'-difluoro-2,2'-bipyridine-1,1'-diium tetrafluoroborate,n,n'-difluoro-2,2'-bipyridinium bis tetrafluoroborate,1-fluoro-2-1-fluoropyridin-1-ium-2-yl pyridin-1-ium ditetrafluoroborate,mec-31,synfluor reagent,1,1'-difluoro-2,2'-bipyridine-1,1'-diium ditetrafluoroborate,daikin mec-31,acmc-209eei,n,n'-difluoro-2,2'-bipyridinium PubChem CID: 2733931 IUPAC Name: 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium;ditetrafluoroborate SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=[N+](C(=C1)C2=CC=CC=[N+]2F)F
| PubChem CID | 2733931 |
|---|---|
| CAS | 178439-26-4 |
| Molecular Weight (g/mol) | 367.792 |
| MDL Number | MFCD01073546 |
| SMILES | [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=[N+](C(=C1)C2=CC=CC=[N+]2F)F |
| Synonym | 1,1'-difluoro-2,2'-bipyridinium bis tetrafluoroborate,1,1'-difluoro-2,2'-bipyridine-1,1'-diium tetrafluoroborate,n,n'-difluoro-2,2'-bipyridinium bis tetrafluoroborate,1-fluoro-2-1-fluoropyridin-1-ium-2-yl pyridin-1-ium ditetrafluoroborate,mec-31,synfluor reagent,1,1'-difluoro-2,2'-bipyridine-1,1'-diium ditetrafluoroborate,daikin mec-31,acmc-209eei,n,n'-difluoro-2,2'-bipyridinium |
| IUPAC Name | 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium;ditetrafluoroborate |
| InChI Key | IDFABAACDRPWQX-UHFFFAOYSA-N |
| Molecular Formula | C10H8B2F10N2 |
3-Aminopyridine 99.0+%, TCI America™
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 |
Phenylthiohydantoin-DELTA-threonine 90.0+%, TCI America™
CAS: 5800-50-0 Molecular Formula: C11H10N2OS Molecular Weight (g/mol): 218.274 MDL Number: MFCD00070617 InChI Key: SXYSWGDIVRMEDE-MBXJOHMKSA-N Synonym: 5-Ethylidene-3-phenyl-2-thiohydantoin, PTH-DELTA-threonine PubChem CID: 45105912 IUPAC Name: (5Z)-5-ethylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one SMILES: CC=C1C(=O)N(C(=S)N1)C2=CC=CC=C2
| PubChem CID | 45105912 |
|---|---|
| CAS | 5800-50-0 |
| Molecular Weight (g/mol) | 218.274 |
| MDL Number | MFCD00070617 |
| SMILES | CC=C1C(=O)N(C(=S)N1)C2=CC=CC=C2 |
| Synonym | 5-Ethylidene-3-phenyl-2-thiohydantoin, PTH-DELTA-threonine |
| IUPAC Name | (5Z)-5-ethylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| InChI Key | SXYSWGDIVRMEDE-MBXJOHMKSA-N |
| Molecular Formula | C11H10N2OS |
2,6-Bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine 90.0+%, TCI America™
CAS: 1223020-29-8 Molecular Formula: C49H45N5 Molecular Weight (g/mol): 703.934 InChI Key: XLWFDEFJSJPDND-CTRFHGHOSA-N Synonym: PyBidine PubChem CID: 46216940 IUPAC Name: 2,6-bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine SMILES: C1=CC=C(C=C1)CN2C(C(NC2C3=NC(=CC=C3)C4NC(C(N4CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
| PubChem CID | 46216940 |
|---|---|
| CAS | 1223020-29-8 |
| Molecular Weight (g/mol) | 703.934 |
| SMILES | C1=CC=C(C=C1)CN2C(C(NC2C3=NC(=CC=C3)C4NC(C(N4CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9 |
| Synonym | PyBidine |
| IUPAC Name | 2,6-bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine |
| InChI Key | XLWFDEFJSJPDND-CTRFHGHOSA-N |
| Molecular Formula | C49H45N5 |
(S)-4-Phenylthiazolidine-2-thione 98.0+%, TCI America™
CAS: 185137-29-5 Molecular Formula: C9H9NS2 Molecular Weight (g/mol): 195.298 MDL Number: MFCD06658214 InChI Key: IEXSISKCCADMLK-MRVPVSSYSA-N PubChem CID: 11333042 IUPAC Name: (4S)-4-phenyl-1,3-thiazolidine-2-thione SMILES: C1C(NC(=S)S1)C2=CC=CC=C2
| PubChem CID | 11333042 |
|---|---|
| CAS | 185137-29-5 |
| Molecular Weight (g/mol) | 195.298 |
| MDL Number | MFCD06658214 |
| SMILES | C1C(NC(=S)S1)C2=CC=CC=C2 |
| IUPAC Name | (4S)-4-phenyl-1,3-thiazolidine-2-thione |
| InChI Key | IEXSISKCCADMLK-MRVPVSSYSA-N |
| Molecular Formula | C9H9NS2 |
1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride 98.0+%, TCI America™
CAS: 173035-10-4 Molecular Formula: C21H27ClN2 Molecular Weight (g/mol): 342.91 MDL Number: MFCD09039279 InChI Key: COGMCBFILULEOS-UHFFFAOYSA-M Synonym: 1,3-dimesitylimidazolidine hydrochloride,1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride,1,3-dimesitylimidazolidine, chloride salt,1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride,1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride SMILES: [Cl-].CC1=CC(C)=C(N2CC[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
| CAS | 173035-10-4 |
|---|---|
| Molecular Weight (g/mol) | 342.91 |
| MDL Number | MFCD09039279 |
| SMILES | [Cl-].CC1=CC(C)=C(N2CC[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1 |
| Synonym | 1,3-dimesitylimidazolidine hydrochloride,1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride,1,3-dimesitylimidazolidine, chloride salt,1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride,1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride |
| IUPAC Name | 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride |
| InChI Key | COGMCBFILULEOS-UHFFFAOYSA-M |
| Molecular Formula | C21H27ClN2 |
(+/-)-Thalidomide 98.0+%, TCI America™
CAS: 50-35-1 Molecular Formula: C13H10N2O4 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00153873 InChI Key: UEJJHQNACJXSKW-UHFFFAOYNA-N Synonym: thalidomide,thalomid,+/--thalidomide,sedoval,2-2,6-dioxopiperidin-3-yl isoindoline-1,3-dione,corronarobetin,psycholiquid,psychotablets,theophilcholine,algosediv PubChem CID: 5426 ChEBI: CHEBI:74947 IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione SMILES: O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12
| PubChem CID | 5426 |
|---|---|
| CAS | 50-35-1 |
| Molecular Weight (g/mol) | 258.23 |
| ChEBI | CHEBI:74947 |
| MDL Number | MFCD00153873 |
| SMILES | O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12 |
| Synonym | thalidomide,thalomid,+/--thalidomide,sedoval,2-2,6-dioxopiperidin-3-yl isoindoline-1,3-dione,corronarobetin,psycholiquid,psychotablets,theophilcholine,algosediv |
| IUPAC Name | 2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione |
| InChI Key | UEJJHQNACJXSKW-UHFFFAOYNA-N |
| Molecular Formula | C13H10N2O4 |
N-Acetyl-epsilon-caprolactam 98.0+%, TCI America™
CAS: 1888-91-1 Molecular Formula: C8H13NO2 Molecular Weight (g/mol): 155.20 MDL Number: MFCD00003262 InChI Key: QISSLHPKTCLLDL-UHFFFAOYSA-N Synonym: n-acetylcaprolactam,acetylcaprolactam,n-acetyl-6-caprolactam,2h-azepin-2-one, 1-acetylhexahydro,acetylkaprolaktam,n-acetylhexanelactam,acetylkaprolaktam czech,1-acetylhexahydro-2h-azepin-2-one,n-acetyl-epsilon-caprolactam,n-acetyl-.epsilon.-caprolactam PubChem CID: 15904 IUPAC Name: 1-acetylazepan-2-one SMILES: CC(=O)N1CCCCCC1=O
| PubChem CID | 15904 |
|---|---|
| CAS | 1888-91-1 |
| Molecular Weight (g/mol) | 155.20 |
| MDL Number | MFCD00003262 |
| SMILES | CC(=O)N1CCCCCC1=O |
| Synonym | n-acetylcaprolactam,acetylcaprolactam,n-acetyl-6-caprolactam,2h-azepin-2-one, 1-acetylhexahydro,acetylkaprolaktam,n-acetylhexanelactam,acetylkaprolaktam czech,1-acetylhexahydro-2h-azepin-2-one,n-acetyl-epsilon-caprolactam,n-acetyl-.epsilon.-caprolactam |
| IUPAC Name | 1-acetylazepan-2-one |
| InChI Key | QISSLHPKTCLLDL-UHFFFAOYSA-N |
| Molecular Formula | C8H13NO2 |
3-Ethyl-3-methylglutarimide 98.0+%, TCI America™
CAS: 64-65-3 Molecular Formula: C8H13NO2 Molecular Weight (g/mol): 155.197 MDL Number: MFCD00006673 InChI Key: ORRZGUBHBVWWOP-UHFFFAOYSA-N PubChem CID: 2310 IUPAC Name: 4-ethyl-4-methylpiperidine-2,6-dione SMILES: CCC1(CC(=O)NC(=O)C1)C
| PubChem CID | 2310 |
|---|---|
| CAS | 64-65-3 |
| Molecular Weight (g/mol) | 155.197 |
| MDL Number | MFCD00006673 |
| SMILES | CCC1(CC(=O)NC(=O)C1)C |
| IUPAC Name | 4-ethyl-4-methylpiperidine-2,6-dione |
| InChI Key | ORRZGUBHBVWWOP-UHFFFAOYSA-N |
| Molecular Formula | C8H13NO2 |
2-Butyl-6-phenylpyridine 97.0+%, TCI America™
CAS: 60272-71-1 Molecular Formula: C15H17N Molecular Weight (g/mol): 211.308 InChI Key: DSCUZYVYDVDBTP-UHFFFAOYSA-N PubChem CID: 4614438 IUPAC Name: 2-butyl-6-phenylpyridine SMILES: CCCCC1=CC=CC(=N1)C2=CC=CC=C2
| PubChem CID | 4614438 |
|---|---|
| CAS | 60272-71-1 |
| Molecular Weight (g/mol) | 211.308 |
| SMILES | CCCCC1=CC=CC(=N1)C2=CC=CC=C2 |
| IUPAC Name | 2-butyl-6-phenylpyridine |
| InChI Key | DSCUZYVYDVDBTP-UHFFFAOYSA-N |
| Molecular Formula | C15H17N |
3-Bromo-2-hydroxypyridine 97.0+%, TCI America™
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-1,2-dihydropyridin-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-1,2-dihydropyridin-2-one |
| InChI Key | YDUGVOUXNSWQSW-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrNO |
2-(Cyclohexylaminomethyl)pyridine 98.0+%, TCI America™
CAS: 68339-45-7 Molecular Formula: C12H18N2 Molecular Weight (g/mol): 190.29 MDL Number: MFCD01135534 InChI Key: KUBDCHSZNMFKFV-UHFFFAOYSA-N Synonym: N-Cyclohexyl-2-picolylamine, N-(2-Pyridylmethyl)cyclohexylamine PubChem CID: 791938 IUPAC Name: N-[(pyridin-2-yl)methyl]cyclohexanamine SMILES: C(NC1CCCCC1)C1=CC=CC=N1
| PubChem CID | 791938 |
|---|---|
| CAS | 68339-45-7 |
| Molecular Weight (g/mol) | 190.29 |
| MDL Number | MFCD01135534 |
| SMILES | C(NC1CCCCC1)C1=CC=CC=N1 |
| Synonym | N-Cyclohexyl-2-picolylamine, N-(2-Pyridylmethyl)cyclohexylamine |
| IUPAC Name | N-[(pyridin-2-yl)methyl]cyclohexanamine |
| InChI Key | KUBDCHSZNMFKFV-UHFFFAOYSA-N |
| Molecular Formula | C12H18N2 |
4-Nitroquinoline N-Oxide 98.0+%, TCI America™
CAS: 56-57-5 Molecular Formula: C9H6N2O3 Molecular Weight (g/mol): 190.16 MDL Number: MFCD00006738 InChI Key: YHQDZJICGQWFHK-UHFFFAOYSA-N Synonym: 4-nitroquinoline n-oxide,4-nitroquinoline 1-oxide,4-nitroquinoline-1-oxide,nitrochin,4-nitroquinoline-n-oxide,4-nqo,quinoline, 4-nitro-, 1-oxide,4-nitroquinoline oxide,4 nqo,4-nitroquinolin-1-oxide PubChem CID: 5955 ChEBI: CHEBI:16907 IUPAC Name: 4-nitroquinolin-1-ium-1-olate SMILES: [O-][N+](=O)C1=C2C=CC=CC2=[N+]([O-])C=C1
| PubChem CID | 5955 |
|---|---|
| CAS | 56-57-5 |
| Molecular Weight (g/mol) | 190.16 |
| ChEBI | CHEBI:16907 |
| MDL Number | MFCD00006738 |
| SMILES | [O-][N+](=O)C1=C2C=CC=CC2=[N+]([O-])C=C1 |
| Synonym | 4-nitroquinoline n-oxide,4-nitroquinoline 1-oxide,4-nitroquinoline-1-oxide,nitrochin,4-nitroquinoline-n-oxide,4-nqo,quinoline, 4-nitro-, 1-oxide,4-nitroquinoline oxide,4 nqo,4-nitroquinolin-1-oxide |
| IUPAC Name | 4-nitroquinolin-1-ium-1-olate |
| InChI Key | YHQDZJICGQWFHK-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O3 |
Roflumilast 98.0+%, TCI America™
CAS: 162401-32-3 Molecular Formula: C17H14Cl2F2N2O3 Molecular Weight (g/mol): 403.207 MDL Number: MFCD00938270 InChI Key: MNDBXUUTURYVHR-UHFFFAOYSA-N Synonym: 3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide PubChem CID: 449193 ChEBI: CHEBI:47657 IUPAC Name: 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
| PubChem CID | 449193 |
|---|---|
| CAS | 162401-32-3 |
| Molecular Weight (g/mol) | 403.207 |
| ChEBI | CHEBI:47657 |
| MDL Number | MFCD00938270 |
| SMILES | C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F |
| Synonym | 3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
| IUPAC Name | 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
| InChI Key | MNDBXUUTURYVHR-UHFFFAOYSA-N |
| Molecular Formula | C17H14Cl2F2N2O3 |
2-Amino-4-methyl-3-nitropyridine 98.0+%, TCI America™
CAS: 6635-86-5 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.141 InChI Key: IKMZGACFMXZAAT-UHFFFAOYSA-N Synonym: 2-amino-4-methyl-3-nitropyridine,2-amino-3-nitro-4-picoline,2-pyridinamine, 4-methyl-3-nitro,2-amino-3-nitro-4-methylpyridine,4-methyl-3-nitro-pyridin-2-ylamine,4-methyl-3-nitro-2-pyridylamine,4-methyl-3-nitro-2-pyridinamine,4-methyl-3-nitro-2-aminopyridine,4-methyl-3-nitropyridin-2-amin,4mrz PubChem CID: 243166 IUPAC Name: 4-methyl-3-nitropyridin-2-amine SMILES: CC1=C(C(=NC=C1)N)[N+](=O)[O-]
| PubChem CID | 243166 |
|---|---|
| CAS | 6635-86-5 |
| Molecular Weight (g/mol) | 153.141 |
| SMILES | CC1=C(C(=NC=C1)N)[N+](=O)[O-] |
| Synonym | 2-amino-4-methyl-3-nitropyridine,2-amino-3-nitro-4-picoline,2-pyridinamine, 4-methyl-3-nitro,2-amino-3-nitro-4-methylpyridine,4-methyl-3-nitro-pyridin-2-ylamine,4-methyl-3-nitro-2-pyridylamine,4-methyl-3-nitro-2-pyridinamine,4-methyl-3-nitro-2-aminopyridine,4-methyl-3-nitropyridin-2-amin,4mrz |
| IUPAC Name | 4-methyl-3-nitropyridin-2-amine |
| InChI Key | IKMZGACFMXZAAT-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O2 |