3-chloro-5-methylpyridin-2-amine

• ChemBase ID: 797350
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: Nc1ncc(cc1Cl)C
• Canonical SMILES: Cc1cnc(c(c1)Cl)N
• InChI: InChI=1S/C6H7ClN2/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
• InChIKey: COTHZSSUQJRBQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-methylpyridin-2-amine
• IUPAC Traditional name: 3-chloro-5-methylpyridin-2-amine
• Synonyms: 3-Chloro-5-Methylpyridine-2-ylaMine

Database IDs

• CAS Number: 31430-41-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3523432
• LogD (pH = 7.4): 1.6333396
• Log P: 1.638571
• Molar Refractivity: 38.761 cm^3
• Polarizability: 14.23254 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%