4-chloro-3-methylpyridin-2-amine

• ChemBase ID: 795914
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(c(c(cc1)Cl)C)N
• Canonical SMILES: Clc1ccnc(c1C)N
• InChI: InChI=1S/C6H7ClN2/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: NEWSMCBOBUNQGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-methylpyridin-2-amine
• IUPAC Traditional name: 4-chloro-3-methylpyridin-2-amine
• Synonyms: 4-chloro-3-methylpyridin-2-amine; 4-chloro-3-methylpyridin-2-amine 4-chlror-3-methyl-2-aminopyridine

Database IDs

• CAS Number: 1227595-52-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.97912955
• LogD (pH = 7.4): 1.6170256
• Log P: 1.638571
• Molar Refractivity: 38.761 cm^3
• Polarizability: 14.218705 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%