2,6-dichloro-N'-[1-(furan-2-yl)ethylidene]pyridine-4-carbohydrazide

• ChemBase ID: 84207
• Molecular Formular: C12H9Cl2N3O2
• Molecular Mass: 298.12476
• Monoisotopic Mass: 297.0071819
• SMILES: n1c(cc(cc1Cl)C(=O)N/N=C(/c1ccco1)\C)Cl
• Canonical SMILES: Clc1nc(Cl)cc(c1)C(=O)N/N=C(/c1ccco1)\C
• InChI: InChI=1S/C12H9Cl2N3O2/c1-7(9-3-2-4-19-9)16-17-12(18)8-5-10(13)15-11(14)6-8/h2-6H,1H3,(H,17,18)
• InChIKey: KDZLGZIWKQJXJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N'-[1-(furan-2-yl)ethylidene]pyridine-4-carbohydrazide
• IUPAC Traditional name: 2,6-dichloro-N'-[1-(furan-2-yl)ethylidene]pyridine-4-carbohydrazide
• Synonyms: N'4-[1-(2-furyl)ethylidene]-2,6-dichloropyridine-4-carbohydrazide

Database IDs

• MDL Number: MFCD00124814
• PubChem SID: 162071323
• PubChem CID: 5911904

CALCULATED PROPERTIES

• Acid pKa: 9.256659
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2992303
• LogD (pH = 7.4): 2.2939866
• Log P: 2.2992978
• Molar Refractivity: 74.0205 cm^3
• Polarizability: 27.141909 Å^3
• Polar Surface Area: 67.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true