methyl 6-chloro-4-hydrazinylpyridine-3-carboxylate

• ChemBase ID: 45224
• Molecular Formular: C7H8ClN3O2
• Molecular Mass: 201.61032
• Monoisotopic Mass: 201.03050419
• SMILES: c1(c(cc(nc1)Cl)NN)C(=O)OC
• Canonical SMILES: COC(=O)c1cnc(cc1NN)Cl
• InChI: InChI=1S/C7H8ClN3O2/c1-13-7(12)4-3-10-6(8)2-5(4)11-9/h2-3H,9H2,1H3,(H,10,11)
• InChIKey: VJNDGPGOEXUBQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-chloro-4-hydrazinylpyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-chloro-4-hydrazinylpyridine-3-carboxylate
• Synonyms: Methyl 6-chloro-4-hydrazinonicotinate

Database IDs

• CAS Number: 65973-40-2
• MDL Number: MFCD13193108
• PubChem SID: 162049987
• PubChem CID: 45588417

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.564067
• LogD (pH = 7.4): 1.6240933
• Log P: 1.6249148
• Molar Refractivity: 51.4992 cm^3
• Polarizability: 18.459124 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-152°C; 162 - 164 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%