methyl 6-hydrazinylpyridine-3-carboxylate

• ChemBase ID: 243761
• Molecular Formular: C7H9N3O2
• Molecular Mass: 167.16526
• Monoisotopic Mass: 167.06947654
• SMILES: c1(C(=O)OC)cnc(NN)cc1
• Canonical SMILES: COC(=O)c1ccc(nc1)NN
• InChI: InChI=1S/C7H9N3O2/c1-12-7(11)5-2-3-6(10-8)9-4-5/h2-4H,8H2,1H3,(H,9,10)
• InChIKey: WLNMKEVJMIJKLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-hydrazinylpyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-hydrazinylpyridine-3-carboxylate
• Synonyms: methyl 6-hydrazinylpyridine-3-carboxylate

Database IDs

• MDL Number: MFCD19201971
• PubChem SID: 164299671
• PubChem CID: 55280209

CALCULATED PROPERTIES

• Acid pKa: 19.206919
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.13738602
• LogD (pH = 7.4): 0.701167
• Log P: 0.7451505
• Molar Refractivity: 45.9466 cm^3
• Polarizability: 16.455 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.948

Product Information

• Purity: 95%