Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride
Basic information
- CAS
54231-60-6- Standard SMILES
Cl.O=C(Nc1ccc(C(F)F)cc1)c1cccnc1- InChIKey
ZLQVOBZJNPIICS-UHFFFAOYSA-N- Molecular formula
- C13H11ClF2N2O
- Average molar mass
- 284.69 g/mol
- Monoisotopic mass
- 284.052797
Names & identifiers
- Preferred name
- Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochloride
- IUPAC
- N-[4-(difluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
Names & synonyms
Nicotinamide, N-(alpha,alpha-difluoro-p-tolyl)-, hydrochlorideNicotinamide, N-(p-difluoromethylphenyl)-, hydrochlorideN-(alpha,alpha-Difluoro-p-tolyl)nicotinamide hydrochloride54231-60-6DTXSID80202585RefChem:365587DTXCID10125076N-[4-(Difluoromethyl)phenyl]pyridine-3-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
54231-60-6- PubChem CID
- 104708
- DTXSID
DTXSID80202585
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
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