3-chloro-N,N-dimethylpyridin-2-amine

• ChemBase ID: 814933
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(c(ccc1)Cl)N(C)C
• Canonical SMILES: CN(c1ncccc1Cl)C
• InChI: InChI=1S/C7H9ClN2/c1-10(2)7-6(8)4-3-5-9-7/h3-5H,1-2H3
• InChIKey: SZXYDWPYZUCOSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N,N-dimethylpyridin-2-amine
• IUPAC Traditional name: 3-chloro-N,N-dimethylpyridin-2-amine
• Synonyms: 3-chloro-N,N-dimethylpyridin-2-amine

Database IDs

• CAS Number: 1060801-41-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9867749
• LogD (pH = 7.4): 2.0610783
• Log P: 2.0621195
• Molar Refractivity: 43.448 cm^3
• Polarizability: 16.142284 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%