2-chloro-5H,6H,7H-cyclopenta[b]pyridine

• ChemBase ID: 287964
• Molecular Formular: C8H8ClN
• Molecular Mass: 153.60882
• Monoisotopic Mass: 153.03452694
• SMILES: Clc1nc2c(CCC2)cc1
• Canonical SMILES: Clc1ccc2c(n1)CCC2
• InChI: InChI=1S/C8H8ClN/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2
• InChIKey: PBMLTRUXYZHCFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5H,6H,7H-cyclopenta[b]pyridine
• IUPAC Traditional name: 2-chloro-5H,6H,7H-cyclopenta[b]pyridine
• Synonyms: 2-Chloro-6,7-dihydro-5H-cyclopenta[b]pyridine

Database IDs

• CAS Number: 117890-55-8
• MDL Number: MFCD09034995
• PubChem SID: 180673495
• PubChem CID: 15012906

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4612634
• LogD (pH = 7.4): 2.461395
• Log P: 2.4613967
• Molar Refractivity: 42.2246 cm^3
• Polarizability: 15.995708 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%