6-chloro-3-methylpyridin-2-amine

• ChemBase ID: 801943
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(c(ccc1Cl)C)N
• Canonical SMILES: Clc1ccc(c(n1)N)C
• InChI: InChI=1S/C6H7ClN2/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: UTZHXEYDIWFKTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-methylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-3-methylpyridin-2-amine
• Synonyms: 2-PYRIDINAMINE, 6-CHLORO-3-METHYL-

Database IDs

• CAS Number: 442128-86-1

CALCULATED PROPERTIES

• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8560812
• LogD (pH = 7.4): 1.8587146
• Log P: 1.8587482
• Molar Refractivity: 39.8223 cm^3
• Polarizability: 14.273623 Å^3

PROPERTIES

Product Information

• Purity: 98%