3-chloro-6-methylpyridin-2-amine

• ChemBase ID: 807333
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(c(ccc1C)Cl)N
• Canonical SMILES: Cc1ccc(c(n1)N)Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: OOYGISRCZJFHRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-methylpyridin-2-amine
• IUPAC Traditional name: 3-chloro-6-methylpyridin-2-amine
• Synonyms: 2-AMINO-3-CHLORO-6-METHYLPYRIDINE

Database IDs

• CAS Number: 56960-77-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8052091
• LogD (pH = 7.4): 1.2464435
• Log P: 1.2565198
• Molar Refractivity: 38.3113 cm^3
• Polarizability: 14.228936 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%