2-{[2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine

• ChemBase ID: 111154
• Molecular Formular: C12H10N4
• Molecular Mass: 210.2346
• Monoisotopic Mass: 210.09054634
• SMILES: c1ccc(/C=N/N=C/c2ccccn2)nc1
• Canonical SMILES: c1ccc(nc1)/C=N/N=C/c1ccccn1
• InChI: InChI=1S/C12H10N4/c1-3-7-13-11(5-1)9-15-16-10-12-6-2-4-8-14-12/h1-10H
• InChIKey: DMQJTSJKMFPBMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine
• IUPAC Traditional name: 2-{[2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene]methyl}pyridine
• Synonyms: 2-PYRIDINEALDAZINE

Database IDs

• PubChem SID: 162105777
• PubChem CID: 6861553

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.352197
• LogD (pH = 7.4): 2.353977
• Log P: 2.3539996
• Molar Refractivity: 62.714 cm^3
• Polarizability: 23.248207 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217961

MP Biomedicals Rare Chemical collection