6-chloro-2,4-dimethylpyridine-3-carbonitrile

• ChemBase ID: 309898
• Molecular Formular: C8H7ClN2
• Molecular Mass: 166.60758
• Monoisotopic Mass: 166.02977591
• SMILES: c1(c(nc(cc1C)Cl)C)C#N
• Canonical SMILES: N#Cc1c(C)cc(nc1C)Cl
• InChI: InChI=1S/C8H7ClN2/c1-5-3-8(9)11-6(2)7(5)4-10/h3H,1-2H3
• InChIKey: CXHZBZISUMOZPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,4-dimethylpyridine-3-carbonitrile
• IUPAC Traditional name: 6-chloro-2,4-dimethylpyridine-3-carbonitrile
• Synonyms: 6-chloro-2,4-dimethylnicotinonitrile

Database IDs

• MDL Number: MFCD21364391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0806828
• LogD (pH = 7.4): 2.080683
• Log P: 2.080683
• Molar Refractivity: 45.1215 cm^3
• Polarizability: 16.732973 Å^3
• Polar Surface Area: 36.68 Å^2