5-fluoropyridine-2-carbohydrazide

• ChemBase ID: 290201
• Molecular Formular: C6H6FN3O
• Molecular Mass: 155.1297432
• Monoisotopic Mass: 155.04949005
• SMILES: O=C(NN)c1ncc(F)cc1
• Canonical SMILES: NNC(=O)c1ccc(cn1)F
• InChI: InChI=1S/C6H6FN3O/c7-4-1-2-5(9-3-4)6(11)10-8/h1-3H,8H2,(H,10,11)
• InChIKey: ONIQAPTYIHXUFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoropyridine-2-carbohydrazide
• IUPAC Traditional name: 5-fluoropyridine-2-carbohydrazide
• Synonyms: 5-Fluoropicolinohydrazide

Database IDs

• CAS Number: 1254073-41-0
• MDL Number: MFCD16293411
• PubChem SID: 180675732
• PubChem CID: 55280967

CALCULATED PROPERTIES

• Acid pKa: 13.913625
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.16233325
• LogD (pH = 7.4): -0.16171773
• Log P: -0.16170974
• Molar Refractivity: 37.308 cm^3
• Polarizability: 13.495151 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%