5-amino-6-methylpyridine-2-carbonitrile hydrochloride

• ChemBase ID: 292322
• Molecular Formular: C7H8ClN3
• Molecular Mass: 169.61152
• Monoisotopic Mass: 169.04067495
• SMILES: N#Cc1nc(C)c(N)cc1.Cl
• Canonical SMILES: N#Cc1ccc(c(n1)C)N.Cl
• InChI: InChI=1S/C7H7N3.ClH/c1-5-7(9)3-2-6(4-8)10-5;/h2-3H,9H2,1H3;1H
• InChIKey: XWBDXCJSKQQANE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-6-methylpyridine-2-carbonitrile hydrochloride
• IUPAC Traditional name: 5-amino-6-methylpyridine-2-carbonitrile hydrochloride
• Synonyms: 5-Amino-6-methylpicolinonitrile hydrochloride

Database IDs

• CAS Number: 1344734-61-7
• PubChem SID: 180677853
• PubChem CID: 70701084

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+%