(2,6-dichloropyridin-3-yl)methanamine

• ChemBase ID: 813705
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: C(N)c1c(nc(cc1)Cl)Cl
• Canonical SMILES: NCc1ccc(nc1Cl)Cl
• InChI: InChI=1S/C6H6Cl2N2/c7-5-2-1-4(3-9)6(8)10-5/h1-2H,3,9H2
• InChIKey: NGFZWMGHYIIRAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dichloropyridin-3-yl)methanamine
• IUPAC Traditional name: (2,6-dichloropyridin-3-yl)methanamine
• Synonyms: (2,6-dichloropyridin-3-yl)methanamine

Database IDs

• CAS Number: 120739-71-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3370008
• LogD (pH = 7.4): 0.063123204
• Log P: 1.5297855
• Molar Refractivity: 44.1067 cm^3
• Polarizability: 16.705013 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%