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

• ChemBase ID: 64556
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c12c([nH]cc1N)nccc2
• Canonical SMILES: Nc1c[nH]c2c1cccn2
• InChI: InChI=1S/C7H7N3/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,8H2,(H,9,10)
• InChIKey: HCTKTFWOSSBSIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[2,3-b]pyridin-3-amine
• IUPAC Traditional name: 1H-pyrrolo[2,3-b]pyridin-3-amine
• Synonyms: 1H-Pyrrolo[2,3-b]pyridin-3-amine; 3-Amino-7-azaindole; 1H-Pyrrolo[2,3-b]pyridin-3-ylamine

Database IDs

• CAS Number: 189882-31-3
• MDL Number: MFCD08272227
• PubChem SID: 162030295
• PubChem CID: 24728890

CALCULATED PROPERTIES

• Acid pKa: 18.393103
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.3920858
• LogD (pH = 7.4): 0.39286157
• Log P: 0.39287147
• Molar Refractivity: 39.6406 cm^3
• Polarizability: 15.117541 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%