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

• ChemBase ID: 247611
• Molecular Formular: C7H10Cl2N2
• Molecular Mass: 193.0737
• Monoisotopic Mass: 192.02210369
• SMILES: N1c2c(CC1)ccnc2.Cl.Cl
• Canonical SMILES: C1Cc2c(N1)cncc2.Cl.Cl
• InChI: InChI=1S/C7H8N2.2ClH/c1-3-8-5-7-6(1)2-4-9-7;;/h1,3,5,9H,2,4H2;2*1H
• InChIKey: KWAYOWOZKAVZNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164303521
• PubChem CID: 71758259

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.26374623
• LogD (pH = 7.4): 0.2505062
• Log P: 0.26824003
• Molar Refractivity: 37.4045 cm^3
• Polarizability: 13.442278 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.251

Product Information

• Purity: 95%