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

• ChemBase ID: 77722
• Molecular Formular: C7H9Cl2N3
• Molecular Mass: 206.07246
• Monoisotopic Mass: 205.01735266
• SMILES: [nH]1cc(c2c1cncc2)N.Cl.Cl
• Canonical SMILES: Nc1c[nH]c2c1ccnc2.Cl.Cl
• InChI: InChI=1S/C7H7N3.2ClH/c8-6-3-10-7-4-9-2-1-5(6)7;;/h1-4,10H,8H2;2*1H
• InChIKey: OTXDTCCNVGFCPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrrolo[2,3-c]pyridin-3-amine dihydrochloride
• IUPAC Traditional name: 1H-pyrrolo[2,3-c]pyridin-3-amine dihydrochloride
• Synonyms: 1H-Pyrrolo[2,3-c]pyridin-3-amine dihydrochloride; 3-Amino-1H-pyrrolo[2,3-c]pyridine dihydrochloride; 3-Amino-6-azaindole dihydrochloride

Database IDs

• MDL Number: MFCD16628054
• PubChem SID: 162042592
• PubChem CID: 51341931

CALCULATED PROPERTIES

• Acid pKa: 17.355593
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.09464679
• LogD (pH = 7.4): 0.023606662
• Log P: 0.025409428
• Molar Refractivity: 39.688 cm^3
• Polarizability: 15.811363 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant