1H-pyrazolo[4,3-b]pyridin-6-ylmethanamine

• ChemBase ID: 289090
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: NCc1cnc2c([nH]nc2)c1
• Canonical SMILES: NCc1cc2[nH]ncc2nc1
• InChI: InChI=1S/C7H8N4/c8-2-5-1-6-7(9-3-5)4-10-11-6/h1,3-4H,2,8H2,(H,10,11)
• InChIKey: FFNWVJROYNXXMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrazolo[4,3-b]pyridin-6-ylmethanamine
• IUPAC Traditional name: 1H-pyrazolo[4,3-b]pyridin-6-ylmethanamine
• Synonyms: (1H-Pyrazolo[4,3-b]pyridin-6-yl)methanamine

Database IDs

• CAS Number: 1260666-23-6
• MDL Number: MFCD18250819
• PubChem SID: 180674621
• PubChem CID: 57347317

CALCULATED PROPERTIES

• Acid pKa: 11.808412
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3506489
• LogD (pH = 7.4): -2.1534178
• Log P: -0.409746
• Molar Refractivity: 42.0176 cm^3
• Polarizability: 17.133745 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%