6-chloro-N-phenylpyridin-2-amine

• ChemBase ID: 49669
• Molecular Formular: C11H9ClN2
• Molecular Mass: 204.65556
• Monoisotopic Mass: 204.04542598
• SMILES: n1c(Nc2ccccc2)cccc1Cl
• Canonical SMILES: Clc1cccc(n1)Nc1ccccc1
• InChI: InChI=1S/C11H9ClN2/c12-10-7-4-8-11(14-10)13-9-5-2-1-3-6-9/h1-8H,(H,13,14)
• InChIKey: ARCAJAOOPOKGBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-phenylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-N-phenylpyridin-2-amine
• Synonyms: 6-Chloro-N-phenyl-2-pyridinamine

Database IDs

• CAS Number: 854889-12-6
• MDL Number: MFCD13562608
• PubChem SID: 162054432
• PubChem CID: 53410305

CALCULATED PROPERTIES

• Acid pKa: 16.673624
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.61414
• LogD (pH = 7.4): 3.6141782
• Log P: 3.6141787
• Molar Refractivity: 58.5669 cm^3
• Polarizability: 22.087202 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false