2-(2-oxo-1,2-dihydropyridin-1-yl)acetohydrazide

• ChemBase ID: 250360
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: n1(c(=O)cccc1)CC(=O)NN
• Canonical SMILES: NNC(=O)Cn1ccccc1=O
• InChI: InChI=1S/C7H9N3O2/c8-9-6(11)5-10-4-2-1-3-7(10)12/h1-4H,5,8H2,(H,9,11)
• InChIKey: BWWMBBGDYITYLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-oxo-1,2-dihydropyridin-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(2-oxopyridin-1-yl)acetohydrazide
• Synonyms: 2-(2-oxopyridin-1(2H)-yl)acetohydrazide

Database IDs

• MDL Number: MFCD07345662
• PubChem SID: 164306270
• PubChem CID: 7130980

CALCULATED PROPERTIES

• Acid pKa: 12.479874
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.385844
• LogD (pH = 7.4): -1.3849123
• Log P: -1.384897
• Molar Refractivity: 45.3329 cm^3
• Polarizability: 16.305618 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): -1.368

Product Information

• Purity: 95%