6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
Basic information
- CAS
1001519-35-2- Standard SMILES
Cc1c(-c2cc(C(F)F)[nH]c(=S)c2C#N)cnn1C- InChIKey
TVBTXDXTBAYPGN-UHFFFAOYSA-N- Molecular formula
- C12H10F2N4S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.05942383
Names & identifiers
- Preferred name
- 6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
- IUPAC
- 6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
- English name
- 6-Difluoromethyl-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercapto-nicotinonitrile
- Molecular formula
- C12H10F2N4S
- Molecular weight
- 280.3
Names & synonyms
1001519-35-26-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile6-(difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-sulfanylpyridine-3-carbonitrile6-Difluoromethyl-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-mercapto-nicotinonitrileMFCD03422742DTXSID501117639SBB020967STK312271AKOS000305398ST100930EN300-228740
Show more names
AKOS B014737ART-CHEM-BB B014737
6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-sulfanyl-pyridine-3-carbonitrile6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-sulfanylpyridine-3-carbonitr ile6-(DIFLUOROMETHYL)-4-(1,5-DIMETHYLPYRAZOL-4-YL)-2-SULFANYLPYRIDINE-3-CARBONITRILE6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-2-thioxo-1H-pyridine-3-carbonitrile6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-dihydro-2-thioxo-3-pyridinecarbonitrile6-(Difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
1001519-35-2- PubChem CID
- 7019356
- DTXSID
DTXSID501117639
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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