6-amino-4-methylpyridine-3-carbonitrile

• ChemBase ID: 90452
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n1cc(c(cc1N)C)C#N
• Canonical SMILES: Cc1cc(N)ncc1C#N
• InChI: InChI=1S/C7H7N3/c1-5-2-7(9)10-4-6(5)3-8/h2,4H,1H3,(H2,9,10)
• InChIKey: WOQVCAIIMZEFGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-4-methylpyridine-3-carbonitrile
• IUPAC Traditional name: 6-amino-4-methylpyridine-3-carbonitrile
• Synonyms: 2-Amino-5-cyano-4-picoline; 6-Amino-4-methylpyridine-3-carbonitrile; 6-Amino-4-methylnicotinonitrile

Database IDs

• CAS Number: 179555-10-3
• MDL Number: MFCD09839255
• PubChem SID: 162077260
• PubChem CID: 9964103

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8793698
• LogD (pH = 7.4): 0.8904789
• Log P: 0.89062256
• Molar Refractivity: 39.6778 cm^3
• Polarizability: 14.164259 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%