5-chloro-N,4-dimethylpyridin-2-amine

• ChemBase ID: 807322
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: N(C)c1ncc(c(c1)C)Cl
• Canonical SMILES: CNc1ncc(c(c1)C)Cl
• InChI: InChI=1S/C7H9ClN2/c1-5-3-7(9-2)10-4-6(5)8/h3-4H,1-2H3,(H,9,10)
• InChIKey: YJGMXWMLHTZXRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N,4-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-chloro-N,4-dimethylpyridin-2-amine
• Synonyms: (5-CHLORO-4-METHYL-PYRIDIN-2-YL)-METHYL-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5940382
• LogD (pH = 7.4): 1.9333837
• Log P: 1.9402751
• Molar Refractivity: 44.2544 cm^3
• Polarizability: 16.049877 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%