2-chloro-N-methylpyridin-4-amine

• ChemBase ID: 802318
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(cc(cc1)NC)Cl
• Canonical SMILES: CNc1ccnc(c1)Cl
• InChI: InChI=1S/C6H7ClN2/c1-8-5-2-3-9-6(7)4-5/h2-4H,1H3,(H,8,9)
• InChIKey: DLCVZLIXJWBLJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methylpyridin-4-amine
• IUPAC Traditional name: 2-chloro-N-methylpyridin-4-amine
• Synonyms: 2-CHLORO-N-METHYLPYRIDIN-4-AMINE

Database IDs

• CAS Number: 66131-68-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.95769686
• LogD (pH = 7.4): 1.0512297
• Log P: 1.0525733
• Molar Refractivity: 39.961 cm^3
• Polarizability: 14.347025 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%