5-chloro-4,6-dimethylpyridin-3-amine

• ChemBase ID: 113971
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: c1(c(c(ncc1N)C)Cl)C
• Canonical SMILES: Nc1cnc(c(c1C)Cl)C
• InChI: InChI=1S/C7H9ClN2/c1-4-6(9)3-10-5(2)7(4)8/h3H,9H2,1-2H3
• InChIKey: NQNRNACKHRSQNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4,6-dimethylpyridin-3-amine
• IUPAC Traditional name: 5-chloro-4,6-dimethylpyridin-3-amine
• Synonyms: 5-Chloro-4,6-dimethylpyridin-3-amine

Database IDs

• MDL Number: MFCD07438053
• PubChem SID: 162100195
• PubChem CID: 7060665

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9126493
• LogD (pH = 7.4): 1.1708207
• Log P: 1.1754837
• Molar Refractivity: 43.039 cm^3
• Polarizability: 15.987538 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.144

Product Information

• Purity: 95+%