1H-pyrrolo[3,2-c]pyridin-3-amine

• ChemBase ID: 87321
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n1cc2c(cc1)[nH]cc2N
• Canonical SMILES: Nc1c[nH]c2c1cncc2
• InChI: InChI=1S/C7H7N3/c8-6-4-10-7-1-2-9-3-5(6)7/h1-4,10H,8H2
• InChIKey: PVXULIOPYOMGME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[3,2-c]pyridin-3-amine
• IUPAC Traditional name: 1H-pyrrolo[3,2-c]pyridin-3-amine
• Synonyms: 1H-Pyrrolo[3,2-c]pyridin-3-amine; 3-Amino-5-azaindole

Database IDs

• PubChem SID: 162104468
• PubChem CID: 24729213

CALCULATED PROPERTIES

• Acid pKa: 17.386496
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.94910544
• LogD (pH = 7.4): -0.54032737
• Log P: 0.025409428
• Molar Refractivity: 39.688 cm^3
• Polarizability: 15.807653 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant