6-fluoroimidazo[1,2-a]pyridine-2-carbohydrazide

• ChemBase ID: 42804
• Molecular Formular: C8H7FN4O
• Molecular Mass: 194.1657832
• Monoisotopic Mass: 194.06038908
• SMILES: c1(nc2n(c1)cc(cc2)F)C(=O)NN
• Canonical SMILES: NNC(=O)c1cn2c(n1)ccc(c2)F
• InChI: InChI=1S/C8H7FN4O/c9-5-1-2-7-11-6(8(14)12-10)4-13(7)3-5/h1-4H,10H2,(H,12,14)
• InChIKey: CVGROIUUKDEOFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroimidazo[1,2-a]pyridine-2-carbohydrazide
• IUPAC Traditional name: 6-fluoroimidazo[1,2-a]pyridine-2-carbohydrazide
• Synonyms: 6-Fluoroimidazo[1,2-a]pyridine-2-carbohydrazide; 6-Fluoroimidazo[1,2-a]pyridine-2-carboxylic acid hydrazide; 6-Fluoro-2-(hydrazinocarbonyl)imidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD11840960
• PubChem SID: 162047567
• PubChem CID: 40148010

CALCULATED PROPERTIES

• Acid pKa: 14.131878
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.16478035
• LogD (pH = 7.4): -0.1578233
• Log P: -0.15773371
• Molar Refractivity: 49.3433 cm^3
• Polarizability: 17.345325 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 264 °C; 263-264°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%