4-amino-6-methylpyridine-3-carbonitrile

• ChemBase ID: 807187
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c1(c(cnc(c1)C)C#N)N
• Canonical SMILES: Cc1cc(N)c(cn1)C#N
• InChI: InChI=1S/C7H7N3/c1-5-2-7(9)6(3-8)4-10-5/h2,4H,1H3,(H2,9,10)
• InChIKey: GDVQTMXLSDXAHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-methylpyridine-3-carbonitrile
• IUPAC Traditional name: 4-amino-6-methylpyridine-3-carbonitrile
• Synonyms: 4-AMINO-6-METHYL-NICOTINONITRILE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6866141
• LogD (pH = 7.4): -0.103828266
• Log P: -0.08588621
• Molar Refractivity: 38.9146 cm^3
• Polarizability: 14.162725 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%