7-chloro-5-methyl-1H-pyrazolo[4,3-b]pyridine

• ChemBase ID: 287005
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: Cc1cc(Cl)c2[nH]ncc2n1
• Canonical SMILES: Cc1cc(Cl)c2c(n1)cn[nH]2
• InChI: InChI=1S/C7H6ClN3/c1-4-2-5(8)7-6(10-4)3-9-11-7/h2-3H,1H3,(H,9,11)
• InChIKey: GTYZRPHAMFVUEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-5-methyl-1H-pyrazolo[4,3-b]pyridine
• IUPAC Traditional name: 7-chloro-5-methyl-1H-pyrazolo[4,3-b]pyridine
• Synonyms: 7-Chloro-5-methyl-1H-pyrazolo[4,3-b]-pyridine

Database IDs

• CAS Number: 94220-38-9
• PubChem SID: 180672536
• PubChem CID: 11679871

CALCULATED PROPERTIES

• Acid pKa: 11.796755
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1998968
• LogD (pH = 7.4): 1.1998833
• Log P: 1.1999004
• Molar Refractivity: 42.9405 cm^3
• Polarizability: 17.402456 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%