ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate

• ChemBase ID: 61580
• Molecular Formular: C8H10ClN3O2
• Molecular Mass: 215.6369
• Monoisotopic Mass: 215.04615426
• SMILES: c1(c(cc(nc1)Cl)NN)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnc(cc1NN)Cl
• InChI: InChI=1S/C8H10ClN3O2/c1-2-14-8(13)5-4-11-7(9)3-6(5)12-10/h3-4H,2,10H2,1H3,(H,11,12)
• InChIKey: IJTSWKZASWNNMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate
• IUPAC Traditional name: ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate
• Synonyms: Ethyl 6-chloro-4-hydrazinylpyridine-3-carboxylate

Database IDs

• MDL Number: MFCD19686131
• PubChem SID: 162027321
• PubChem CID: 56773840

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9209107
• LogD (pH = 7.4): 1.9809017
• Log P: 1.9817227
• Molar Refractivity: 56.2478 cm^3
• Polarizability: 20.280111 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152 °C; 150-152°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%