5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine

C17H11FN2O2 — CID 172619087

IUPAC5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C17H11FN2O2/c18-15-6-1-12(2-7-15)14-5-10-17(19-11-14)13-3-8-16(9-4-13)20(21)22/h1-11H
InChIKeyXCUMFLKLVULAMP-UHFFFAOYSA-N
MW294.29 g/mol
LogP4.46
Rot. Bonds3

About 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine

5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine (PubChem CID 172619087) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
PubChem CID172619087
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C17H11FN2O2/c18-15-6-1-12(2-7-15)14-5-10-17(19-11-14)13-3-8-16(9-4-13)20(21)22/h1-11H
InChIKeyXCUMFLKLVULAMP-UHFFFAOYSA-N
XLogP4.46
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethane;6-(4-nitrophenyl)pyridin-3-ol
CID 144843001
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2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine
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[4-(4-fluorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl]urea
CID 46704086
3-(4-nitrophenyl)-1H-pyridazin-6-one
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1-[5-(4-nitrophenyl)-2-pyridinyl]ethanone
CID 86680623
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
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4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
CID 86052941
1-(4-fluorophenyl)-2-[4-(4-nitrophenyl)pyrazol-1-yl]ethanol
CID 109411740
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine?
The IUPAC name of 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine (CID 172619087) is 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine?
The canonical SMILES for 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine is O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(F)cc3)cn2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine?
The InChIKey is XCUMFLKLVULAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-15-6-1-12(2-7-15)14-5-10-17(19-11-14)13-3-8-16(9-4-13)20(21)22/h1-11H.
What are the key properties of 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine?
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine has a molecular weight of 294.29 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine is sourced from PubChem (CID 172619087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).