3-chloro-6-methoxypyridine-2-carbohydrazide

• ChemBase ID: 88347
• Molecular Formular: C7H8ClN3O2
• Molecular Mass: 201.61032
• Monoisotopic Mass: 201.03050419
• SMILES: n1c(c(ccc1OC)Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1nc(OC)ccc1Cl
• InChI: InChI=1S/C7H8ClN3O2/c1-13-5-3-2-4(8)6(10-5)7(12)11-9/h2-3H,9H2,1H3,(H,11,12)
• InChIKey: BFKMRFYUGLTIAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-methoxypyridine-2-carbohydrazide
• IUPAC Traditional name: 3-chloro-6-methoxypyridine-2-carbohydrazide
• Synonyms: 3-Chloro-6-methoxypyridine-2-carboxylic acid hydrazide; 3-Chloro-6-methoxypyridine-2-carbohydrazide

Database IDs

• PubChem SID: 162104582
• PubChem CID: 51341994

CALCULATED PROPERTIES

• Acid pKa: 11.117596
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.73591304
• LogD (pH = 7.4): 0.73633915
• Log P: 0.73641926
• Molar Refractivity: 48.6731 cm^3
• Polarizability: 18.238543 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon