2-chloro-3-methylpyridin-4-amine

• ChemBase ID: 240805
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(c(nccc1N)Cl)C
• Canonical SMILES: Nc1ccnc(c1C)Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-5(8)2-3-9-6(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: OPIGCGMFJRAVJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-methylpyridin-4-amine
• IUPAC Traditional name: 2-chloro-3-methylpyridin-4-amine
• Synonyms: 2-chloro-3-methylpyridin-4-amine

Database IDs

• CAS Number: 79055-64-4
• MDL Number: MFCD18415428
• PubChem SID: 164296715
• PubChem CID: 12643705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9927154
• LogD (pH = 7.4): 1.2594274
• Log P: 1.2642907
• Molar Refractivity: 39.5088 cm^3
• Polarizability: 14.27246 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.603

Product Information

• Purity: 95%; 95+%; 97%