3-chloroimidazo[1,2-a]pyridine-2-carbohydrazide

• ChemBase ID: 73863
• Molecular Formular: C8H7ClN4O
• Molecular Mass: 210.62038
• Monoisotopic Mass: 210.03083854
• SMILES: n1c2ccccn2c(c1C(=O)NN)Cl
• Canonical SMILES: NNC(=O)c1nc2n(c1Cl)cccc2
• InChI: InChI=1S/C8H7ClN4O/c9-7-6(8(14)12-10)11-5-3-1-2-4-13(5)7/h1-4H,10H2,(H,12,14)
• InChIKey: HZGMOGDKMHZGBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloroimidazo[1,2-a]pyridine-2-carbohydrazide
• IUPAC Traditional name: 3-chloroimidazo[1,2-a]pyridine-2-carbohydrazide
• Synonyms: 3-Chloroimidazo[1,2-a]pyridine-2-carbohydrazide

Database IDs

• MDL Number: MFCD09842622
• PubChem SID: 162038782
• PubChem CID: 26369201

CALCULATED PROPERTIES

• Acid pKa: 11.385997
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.01781589
• LogD (pH = 7.4): 0.018569795
• Log P: 0.018619683
• Molar Refractivity: 53.9328 cm^3
• Polarizability: 19.555975 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true