1H,2H,3H-pyrrolo[3,2-c]pyridine hydrochloride

• ChemBase ID: 276741
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: c12c(NCC2)ccnc1.Cl
• Canonical SMILES: C1Cc2c(N1)ccnc2.Cl
• InChI: InChI=1S/C7H8N2.ClH/c1-4-9-7-2-3-8-5-6(1)7;/h2-3,5,9H,1,4H2;1H
• InChIKey: FCHLBKDUXJRKOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18384264
• PubChem SID: 164332651
• PubChem CID: 54594334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.716256
• LogD (pH = 7.4): -0.65805864
• Log P: 0.26824003
• Molar Refractivity: 37.4045 cm^3
• Polarizability: 13.439089 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C
• Hydrophobicity(logP): -0.011

Product Information

• Purity: 95%