2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine

C18H11F3N2O3 — CID 71285949

IUPAC2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)c(-c2ccccn2)c1
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)26-17-7-2-1-5-14(17)13-9-8-12(23(24)25)11-15(13)16-6-3-4-10-22-16/h1-11H
InChIKeyWMNBYLBHVFIVTG-UHFFFAOYSA-N
MW360.29 g/mol
LogP5.22
Rot. Bonds4

About 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine

2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine (PubChem CID 71285949) has the molecular formula C18H11F3N2O3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
PubChem CID71285949
Molecular FormulaC18H11F3N2O3
Molecular Weight360.29 g/mol
Exact Mass360.07
IUPAC Name2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)c(-c2ccccn2)c1
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)26-17-7-2-1-5-14(17)13-9-8-12(23(24)25)11-15(13)16-6-3-4-10-22-16/h1-11H
InChIKeyWMNBYLBHVFIVTG-UHFFFAOYSA-N
XLogP5.22
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-Bis(fluoromethyl)-6-nitrochromen-4-yl]-1-oxidopyridin-1-ium
CID 11131427
3-(2-Trifluoromethoxybenzylidene)anabaseine
CID 46702871
3-(2-Difluoromethoxybenzylidene)anabaseine
CID 46702873
3-(4-Nitro-2-phenylmethoxyphenyl)pyridine
CID 118735166
3-[4-Nitro-2-(2-phenylethoxy)phenyl]pyridine
CID 118735167
3-[4-Nitro-2-(3-phenylpropoxy)phenyl]pyridine
CID 118735168
4-(4-Nitro-2-phenylmethoxyphenyl)pyridine
CID 118735169
4-[4-Nitro-2-(2-phenylethoxy)phenyl]pyridine
CID 118735170
4-[4-Nitro-2-(3-phenylpropoxy)phenyl]pyridine
CID 118735171
3-[4-Nitro-3-(2-phenylethoxy)phenyl]pyridine
CID 118735172
3-[[4-Nitro-2-(2-phenylethoxy)phenyl]methyl]pyridine
CID 118735186
4-[[4-Nitro-2-(2-phenylethoxy)phenyl]methyl]pyridine
CID 118735187

Frequently Asked Questions

What is the IUPAC name of 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine?
The IUPAC name of 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine (CID 71285949) is 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine is O=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)c(-c2ccccn2)c1.
What is the InChIKey of 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine?
The InChIKey is WMNBYLBHVFIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O3/c19-18(20,21)26-17-7-2-1-5-14(17)13-9-8-12(23(24)25)11-15(13)16-6-3-4-10-22-16/h1-11H.
What are the key properties of 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine?
2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine has a molecular weight of 360.29 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyridine is sourced from PubChem (CID 71285949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).