3-chloroimidazo[1,2-a]pyridine-6-carbohydrazide

• ChemBase ID: 77992
• Molecular Formular: C8H7ClN4O
• Molecular Mass: 210.62038
• Monoisotopic Mass: 210.03083854
• SMILES: n12cc(ccc1ncc2Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc2n(c1)c(Cl)cn2
• InChI: InChI=1S/C8H7ClN4O/c9-6-3-11-7-2-1-5(4-13(6)7)8(14)12-10/h1-4H,10H2,(H,12,14)
• InChIKey: URNNEHJKPWJSIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloroimidazo[1,2-a]pyridine-6-carbohydrazide
• IUPAC Traditional name: 3-chloroimidazo[1,2-a]pyridine-6-carbohydrazide
• Synonyms: 3-Chloroimidazo[1,2-a]pyridine-6-carboxylic acid hydrazide; 3-Chloroimidazo[1,2-a]pyridine-6-carbohydrazide

Database IDs

• PubChem SID: 162104378
• PubChem CID: 45933814

CALCULATED PROPERTIES

• Acid pKa: 13.581538
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.45371327
• LogD (pH = 7.4): -0.36845618
• Log P: -0.36723065
• Molar Refractivity: 54.3048 cm^3
• Polarizability: 19.532677 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant