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

• ChemBase ID: 286832
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Nc1ccc2[nH]ccc2n1
• Canonical SMILES: Nc1ccc2c(n1)cc[nH]2
• InChI: InChI=1S/C7H7N3/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H,(H2,8,10)
• InChIKey: NOEYQOAKBMZXFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 207849-66-9
• PubChem SID: 180672363
• PubChem CID: 22126239

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+%