2-chloro-6-methylpyridin-4-amine

• ChemBase ID: 816001
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(cc(cc1C)N)Cl
• Canonical SMILES: Nc1cc(C)nc(c1)Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-2-5(8)3-6(7)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: OCAAOWXXYDTPKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methylpyridin-4-amine
• IUPAC Traditional name: 2-chloro-6-methylpyridin-4-amine
• Synonyms: 2-CHLORO-6-METHYLPYRIDIN-4-AMINE

Database IDs

• CAS Number: 79055-63-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4372489
• LogD (pH = 7.4): 0.8723904
• Log P: 0.88223946
• Molar Refractivity: 39.0591 cm^3
• Polarizability: 14.2733965 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%