5-nitro-N-phenylpyridin-2-amine

• ChemBase ID: 112284
• Molecular Formular: C11H9N3O2
• Molecular Mass: 215.20806
• Monoisotopic Mass: 215.06947654
• SMILES: [O-][N+](=O)c1ccc(Nc2ccccc2)nc1
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1)Nc1ccccc1
• InChI: InChI=1S/C11H9N3O2/c15-14(16)10-6-7-11(12-8-10)13-9-4-2-1-3-5-9/h1-8H,(H,12,13)
• InChIKey: NIPKIXLTWQXXEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-nitro-N-phenylpyridin-2-amine
• IUPAC Traditional name: 5-nitro-N-phenylpyridin-2-amine
• Synonyms: 5-NITRO-2-ANILINO PYRIDINE

Database IDs

• CAS Number: 6825-25-8
• PubChem SID: 162097305
• PubChem CID: 81268

CALCULATED PROPERTIES

• Acid pKa: 15.608266
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.729922
• LogD (pH = 7.4): 2.7299407
• Log P: 2.729941
• Molar Refractivity: 60.0255 cm^3
• Polarizability: 22.031332 Å^3
• Polar Surface Area: 70.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223331

MP Biomedicals Rare Chemical collection