2-[N-(pyridin-2-yl)carboximidoyl]phenol

• ChemBase ID: 112400
• Molecular Formular: C12H10N2O
• Molecular Mass: 198.2206
• Monoisotopic Mass: 198.07931295
• SMILES: Oc1ccccc1/C=N/c1ccccn1
• Canonical SMILES: Oc1ccccc1/C=N/c1ccccn1
• InChI: InChI=1S/C12H10N2O/c15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12/h1-9,15H
• InChIKey: DYOIUODXXXAPDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[N-(pyridin-2-yl)carboximidoyl]phenol
• IUPAC Traditional name: 2-[N-(pyridin-2-yl)carboximidoyl]phenol
• Synonyms: SALICYLIDENE-2-AMINO PYRIDINE

Database IDs

• PubChem SID: 162106725
• PubChem CID: 5367349

CALCULATED PROPERTIES

• Acid pKa: 8.806704
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.920487
• LogD (pH = 7.4): 2.9041371
• Log P: 2.9207265
• Molar Refractivity: 61.5251 cm^3
• Polarizability: 22.176355 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223749

MP Biomedicals Rare Chemical collection