5-amino-6-methylpyridine-2-carbonitrile

• ChemBase ID: 292321
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: N#Cc1nc(C)c(N)cc1
• Canonical SMILES: N#Cc1ccc(c(n1)C)N
• InChI: InChI=1S/C7H7N3/c1-5-7(9)3-2-6(4-8)10-5/h2-3H,9H2,1H3
• InChIKey: SLBIKHREAIGBFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-6-methylpyridine-2-carbonitrile
• IUPAC Traditional name: 5-amino-6-methylpyridine-2-carbonitrile
• Synonyms: 5-Amino-6-methylpicolinonitrile; 5-AMINO-6-METHYL-PYRIDINE-2-CARBONITRILE

Database IDs

• CAS Number: 1079054-78-6
• PubChem SID: 180677852
• PubChem CID: 55252984

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2998099
• LogD (pH = 7.4): 0.29996216
• Log P: 0.29996413
• Molar Refractivity: 38.5426 cm^3
• Polarizability: 14.170801 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%