6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
Basic information
- CAS
1001519-34-1- Standard SMILES
Cc1nn(C)cc1-c1cc(C(F)F)[nH]c(=S)c1C#N- InChIKey
PAFXMCFOCKTFDG-UHFFFAOYSA-N- Molecular formula
- C12H10F2N4S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.05942383
Names & identifiers
- Preferred name
- 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
- IUPAC
- 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
- English name
- 6-DIFLUOROMETHYL-4-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-MERCAPTO-NICOTINONITRILE
- Molecular formula
- C12H10F2N4S
- Molecular weight
- 280.3
Names & synonyms
1001519-34-16-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile6-(difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-sulfanylpyridine-3-carbonitrile6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile6-Difluoromethyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercapto-nicotinonitrileMFCD03422741SBB020966STK313343AKOS000305397CS-0282576EN300-2287396-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanyl-pyridine-3-carbonitrile
Show more names
AKOS B014736ART-CHEM-BB B0147363-Pyridinecarbonitrile, 6-(difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-1,2-dihydro-2-thioxo-
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanylpyridine-3-carbonitr ile6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-thioxo-1H-pyridine-3-carbonitrile
Database identifiers
- CAS
1001519-34-1- PubChem CID
- 7019354
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 517
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Compound notes
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