2-[(2-chloropyridin-3-yl)oxy]-3-nitropyridine

• ChemBase ID: 79114
• Molecular Formular: C10H6ClN3O3
• Molecular Mass: 251.62594
• Monoisotopic Mass: 251.00976875
• SMILES: [N+](=O)(c1c(nccc1)Oc1c(nccc1)Cl)[O-]
• Canonical SMILES: Clc1ncccc1Oc1ncccc1[N+](=O)[O-]
• InChI: InChI=1S/C10H6ClN3O3/c11-9-8(4-2-5-12-9)17-10-7(14(15)16)3-1-6-13-10/h1-6H
• InChIKey: SZCYWUKMLLWUAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-chloropyridin-3-yl)oxy]-3-nitropyridine
• IUPAC Traditional name: 2-[(2-chloropyridin-3-yl)oxy]-3-nitropyridine
• Synonyms: 2-[(2-chloro-3-pyridyl)oxy]-3-nitropyridine

Database IDs

• CAS Number: 175135-50-9
• MDL Number: MFCD00067784
• PubChem SID: 162043877
• PubChem CID: 2774703

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3968418
• LogD (pH = 7.4): 2.3968515
• Log P: 2.3968518
• Molar Refractivity: 61.4893 cm^3
• Polarizability: 22.807665 Å^3
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%