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

• ChemBase ID: 288727
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: Clc1cc2[nH]ncc2cn1
• Canonical SMILES: Clc1ncc2c(c1)[nH]nc2
• InChI: InChI=1S/C6H4ClN3/c7-6-1-5-4(2-8-6)3-9-10-5/h1-3H,(H,9,10)
• InChIKey: AAJIQIWPVIWCGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-1H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 6-chloro-1H-pyrazolo[4,3-c]pyridine
• Synonyms: 6-Chloro-1H-pyrazolo[4,3-c]pyridine

Database IDs

• CAS Number: 1206979-33-0
• MDL Number: MFCD17010105
• PubChem SID: 180674258
• PubChem CID: 56932109

CALCULATED PROPERTIES

• Acid pKa: 9.633678
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.90279543
• LogD (pH = 7.4): 0.9003903
• Log P: 0.9028571
• Molar Refractivity: 39.7823 cm^3
• Polarizability: 15.679935 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%