1H-pyrrolo[3,2-b]pyridin-5-amine hydrochloride

• ChemBase ID: 292052
• Molecular Formular: C7H8ClN3
• Molecular Mass: 169.61152
• Monoisotopic Mass: 169.04067495
• SMILES: Nc1ccc2[nH]ccc2n1.Cl
• Canonical SMILES: Nc1ccc2c(n1)cc[nH]2.Cl
• InChI: InChI=1S/C7H7N3.ClH/c8-7-2-1-5-6(10-7)3-4-9-5;/h1-4,9H,(H2,8,10);1H
• InChIKey: JHLXDZQIZIVPJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[3,2-b]pyridin-5-amine hydrochloride
• IUPAC Traditional name: 1H-pyrrolo[3,2-b]pyridin-5-amine hydrochloride
• Synonyms: 1H-Pyrrolo[3,2-b]pyridin-5-amine hydrochloride

Database IDs

• CAS Number: 1260771-53-6
• PubChem SID: 180677583
• PubChem CID: 60146091

CALCULATED PROPERTIES

• Acid pKa: 15.7769
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.260274
• LogD (pH = 7.4): 0.97981185
• Log P: 1.0057173
• Molar Refractivity: 39.6295 cm^3
• Polarizability: 15.809406 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%