6-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine

• ChemBase ID: 294850
• Molecular Formular: C7H7ClN2
• Molecular Mass: 154.59688
• Monoisotopic Mass: 154.02977591
• SMILES: Clc1cc2c(CCN2)cn1
• Canonical SMILES: Clc1ncc2c(c1)NCC2
• InChI: InChI=1S/C7H7ClN2/c8-7-3-6-5(4-10-7)1-2-9-6/h3-4,9H,1-2H2
• InChIKey: WSJKRCBUBLIDBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine
• IUPAC Traditional name: 6-chloro-1H,2H,3H-pyrrolo[3,2-c]pyridine
• Synonyms: 6-Chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine

Database IDs

• CAS Number: 23596-25-0
• MDL Number: MFCD00980787
• PubChem SID: 180680381
• PubChem CID: 211823

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.93346137
• LogD (pH = 7.4): 1.0900158
• Log P: 1.0924618
• Molar Refractivity: 43.2706 cm^3
• Polarizability: 15.38432 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%