5-chloro-6-methylpyridin-3-amine

• ChemBase ID: 802707
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1cc(cc(c1C)Cl)N
• Canonical SMILES: Nc1cnc(c(c1)Cl)C
• InChI: InChI=1S/C6H7ClN2/c1-4-6(7)2-5(8)3-9-4/h2-3H,8H2,1H3
• InChIKey: WOMATBULYGQEFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-6-methylpyridin-3-amine
• IUPAC Traditional name: 5-chloro-6-methylpyridin-3-amine
• Synonyms: 5-CHLORO-6-METHYLPYRIDIN-3-AMINE

Database IDs

• CAS Number: 896161-13-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6199468
• LogD (pH = 7.4): 0.6615038
• Log P: 0.6620623
• Molar Refractivity: 37.9978 cm^3
• Polarizability: 14.230033 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%