4-chloro-6-methylpyridin-3-amine

• ChemBase ID: 802751
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1cc(c(cc1C)Cl)N
• Canonical SMILES: Cc1ncc(c(c1)Cl)N
• InChI: InChI=1S/C6H7ClN2/c1-4-2-5(7)6(8)3-9-4/h2-3H,8H2,1H3
• InChIKey: BMSBVEZQQJSFBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methylpyridin-3-amine
• IUPAC Traditional name: 4-chloro-6-methylpyridin-3-amine
• Synonyms: 4-CHLORO-6-METHYLPYRIDIN-3-AMINE

Database IDs

• CAS Number: 1092285-77-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5696193
• LogD (pH = 7.4): 0.66075605
• Log P: 0.6620623
• Molar Refractivity: 37.9978 cm^3
• Polarizability: 14.222157 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%