5-(3-chlorophenyl)pyridin-2-amine

• ChemBase ID: 810375
• Molecular Formular: C11H9ClN2
• Molecular Mass: 204.65556
• Monoisotopic Mass: 204.04542598
• SMILES: n1c(ccc(c1)c1cc(ccc1)Cl)N
• Canonical SMILES: Clc1cccc(c1)c1ccc(nc1)N
• InChI: InChI=1S/C11H9ClN2/c12-10-3-1-2-8(6-10)9-4-5-11(13)14-7-9/h1-7H,(H2,13,14)
• InChIKey: YLBIMHAAQBBISK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-chlorophenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(3-chlorophenyl)pyridin-2-amine
• Synonyms: 5-(3-CHLOROPHENYL)-2-PYRIDINAMINE

Database IDs

• CAS Number: 893738-14-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9720331
• LogD (pH = 7.4): 2.7384982
• Log P: 2.772375
• Molar Refractivity: 58.856 cm^3
• Polarizability: 23.394827 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%