2-(2-chloropyridin-3-yl)ethan-1-amine

• ChemBase ID: 806675
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: NCCc1c(nccc1)Cl
• Canonical SMILES: NCCc1cccnc1Cl
• InChI: InChI=1S/C7H9ClN2/c8-7-6(3-4-9)2-1-5-10-7/h1-2,5H,3-4,9H2
• InChIKey: VBOPGRUQMGJDAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloropyridin-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-chloropyridin-3-yl)ethanamine
• Synonyms: 2-(2-CHLORO-PYRIDIN-3-YL)-ETHYLAMINE

Database IDs

• CAS Number: 910381-68-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0049317
• LogD (pH = 7.4): -1.1683177
• Log P: 0.9942249
• Molar Refractivity: 42.9956 cm^3
• Polarizability: 16.488794 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%