6-fluoro-4-methylpyridine-3-carbonitrile

• ChemBase ID: 97805
• Molecular Formular: C7H5FN2
• Molecular Mass: 136.1264032
• Monoisotopic Mass: 136.04367639
• SMILES: n1cc(c(cc1F)C)C#N
• Canonical SMILES: Cc1cc(F)ncc1C#N
• InChI: InChI=1S/C7H5FN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,1H3
• InChIKey: QFXREOQLNIVKPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-4-methylpyridine-3-carbonitrile
• IUPAC Traditional name: 6-fluoro-4-methylpyridine-3-carbonitrile
• Synonyms: 6-Fluoro-4-methylpyridine-3-carbonitrile; 3-Cyano-6-fluoro-4-methylpyridine; 6-Fluoro-4-methylnicotinonitrile

Database IDs

• PubChem SID: 162104984
• PubChem CID: 53395663

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6617236
• LogD (pH = 7.4): 1.6617236
• Log P: 1.6617236
• Molar Refractivity: 35.895 cm^3
• Polarizability: 12.728456 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true