5-(4-chlorophenyl)pyridin-2-amine

• ChemBase ID: 71043
• Molecular Formular: C11H9ClN2
• Molecular Mass: 204.65556
• Monoisotopic Mass: 204.04542598
• SMILES: n1c(N)ccc(c2ccc(cc2)Cl)c1
• Canonical SMILES: Clc1ccc(cc1)c1ccc(nc1)N
• InChI: InChI=1S/C11H9ClN2/c12-10-4-1-8(2-5-10)9-3-6-11(13)14-7-9/h1-7H,(H2,13,14)
• InChIKey: LVARCJGOURVXJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-chlorophenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(4-chlorophenyl)pyridin-2-amine
• Synonyms: 5-(4-Chlorophenyl)pyridin-2-amine

Database IDs

• CAS Number: 84596-08-7
• MDL Number: MFCD06802135
• PubChem SID: 162036749
• PubChem CID: 13242644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9649642
• LogD (pH = 7.4): 2.7377253
• Log P: 2.772375
• Molar Refractivity: 58.856 cm^3
• Polarizability: 23.39318 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134 °C; 132-134°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >97%; 97%; 98%