7-chloro-1H-pyrazolo[3,4-c]pyridine

• ChemBase ID: 286748
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: Clc1nccc2c1[nH]nc2
• Canonical SMILES: Clc1nccc2c1[nH]nc2
• InChI: InChI=1S/C6H4ClN3/c7-6-5-4(1-2-8-6)3-9-10-5/h1-3H,(H,9,10)
• InChIKey: LGYXPMDWRGMZCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1H-pyrazolo[3,4-c]pyridine
• IUPAC Traditional name: 7-chloro-1H-pyrazolo[3,4-c]pyridine
• Synonyms: 7-Chloro-1H-pyrazolo[3,4-c]pyridine

Database IDs

• CAS Number: 76006-11-6
• MDL Number: MFCD09265710
• PubChem SID: 180672279
• PubChem CID: 12668491

CALCULATED PROPERTIES

• Acid pKa: 9.411149
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9027948
• LogD (pH = 7.4): 0.8987481
• Log P: 0.9028571
• Molar Refractivity: 39.7823 cm^3
• Polarizability: 15.694633 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%