3-chloro-4-methylpyridin-2-amine

• ChemBase ID: 294178
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: Cc1c(Cl)c(N)ncc1
• Canonical SMILES: Cc1ccnc(c1Cl)N
• InChI: InChI=1S/C6H7ClN2/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: ATBLRRXUGPZNKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 56960-76-0
• PubChem SID: 180679709
• PubChem CID: 9855502

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0346236
• LogD (pH = 7.4): 1.620626
• Log P: 1.638571
• Molar Refractivity: 38.761 cm^3
• Polarizability: 14.230951 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%