2-chloro-N'-(pyridin-2-yl)acetohydrazide

• ChemBase ID: 250467
• Molecular Formular: C7H8ClN3O
• Molecular Mass: 185.61092
• Monoisotopic Mass: 185.03558957
• SMILES: C(=O)(NNc1ncccc1)CCl
• Canonical SMILES: ClCC(=O)NNc1ccccn1
• InChI: InChI=1S/C7H8ClN3O/c8-5-7(12)11-10-6-3-1-2-4-9-6/h1-4H,5H2,(H,9,10)(H,11,12)
• InChIKey: ZQVWXZQWYUOAFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N'-(pyridin-2-yl)acetohydrazide
• IUPAC Traditional name: 2-chloro-N'-(pyridin-2-yl)acetohydrazide
• Synonyms: 2-chloro-N'-pyridin-2-ylacetohydrazide

Database IDs

• MDL Number: MFCD07348572
• PubChem SID: 164306377
• PubChem CID: 7064031

CALCULATED PROPERTIES

• Acid pKa: 11.127215
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8714615
• LogD (pH = 7.4): 0.9843049
• Log P: 0.9860437
• Molar Refractivity: 47.0563 cm^3
• Polarizability: 17.355927 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 0.359

Product Information

• Purity: 95%