2-chloro-6-methylpyridin-3-amine hydrochloride

• ChemBase ID: 241229
• Molecular Formular: C6H8Cl2N2
• Molecular Mass: 179.04712
• Monoisotopic Mass: 178.00645363
• SMILES: n1c(c(ccc1C)N)Cl.Cl
• Canonical SMILES: Cc1ccc(c(n1)Cl)N.Cl
• InChI: InChI=1S/C6H7ClN2.ClH/c1-4-2-3-5(8)6(7)9-4;/h2-3H,8H2,1H3;1H
• InChIKey: KZIKMJUNFUQHAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methylpyridin-3-amine hydrochloride
• IUPAC Traditional name: 2-chloro-6-methylpyridin-3-amine hydrochloride
• Synonyms: 2-chloro-6-methylpyridin-3-amine hydrochloride

Database IDs

• MDL Number: MFCD22421834
• PubChem SID: 164297139
• PubChem CID: 71756735

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8820471
• LogD (pH = 7.4): 0.882237
• Log P: 0.88223946
• Molar Refractivity: 39.0591 cm^3
• Polarizability: 14.278958 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.653

Product Information

• Purity: 95%