ethyl 6-hydrazinylpyridine-3-carboxylate

• ChemBase ID: 71651
• Molecular Formular: C8H11N3O2
• Molecular Mass: 181.19184
• Monoisotopic Mass: 181.08512661
• SMILES: c1(cnc(cc1)NN)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ccc(nc1)NN
• InChI: InChI=1S/C8H11N3O2/c1-2-13-8(12)6-3-4-7(11-9)10-5-6/h3-5H,2,9H2,1H3,(H,10,11)
• InChIKey: SURXNMWQQYCEDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-hydrazinylpyridine-3-carboxylate
• IUPAC Traditional name: ethyl 6-hydrazinylpyridine-3-carboxylate
• Synonyms: Ethyl 6-hydrazinonicotinate

Database IDs

• PubChem SID: 162103671
• PubChem CID: 54325624

CALCULATED PROPERTIES

• Acid pKa: 19.202272
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.22044453
• LogD (pH = 7.4): 1.0581197
• Log P: 1.1019584
• Molar Refractivity: 50.6952 cm^3
• Polarizability: 18.28506 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT