5-chloro-4-methylpyridin-3-amine

• ChemBase ID: 113978
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(c(N)cncc1Cl)C
• Canonical SMILES: Cc1c(N)cncc1Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-5(7)2-9-3-6(4)8/h2-3H,8H2,1H3
• InChIKey: LDPCAODBPZRQEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-methylpyridin-3-amine
• IUPAC Traditional name: 5-chloro-4-methylpyridin-3-amine
• Synonyms: 5-Chloro-4-methylpyridin-3-amine

Database IDs

• MDL Number: MFCD07439975
• PubChem SID: 162098928
• PubChem CID: 7060678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9812537
• LogD (pH = 7.4): 1.0432475
• Log P: 1.0441135
• Molar Refractivity: 38.4475 cm^3
• Polarizability: 14.2298155 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.886

Product Information

• Purity: 95+%