5-nitro-2,4-diphenylpyridine

C17H12N2O2 — CID 134841572

IUPAC5-nitro-2,4-diphenylpyridine
SMILESO=[N+]([O-])c1cnc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-12-18-16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h1-12H
InChIKeyJDXCGDYTHZYIQV-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.32
Rot. Bonds3

About 5-nitro-2,4-diphenylpyridine

5-nitro-2,4-diphenylpyridine (PubChem CID 134841572) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-nitro-2,4-diphenylpyridine.

Molecular Properties

Compound Name5-nitro-2,4-diphenylpyridine
PubChem CID134841572
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name5-nitro-2,4-diphenylpyridine
SMILESO=[N+]([O-])c1cnc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-12-18-16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h1-12H
InChIKeyJDXCGDYTHZYIQV-UHFFFAOYSA-N
XLogP4.32
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.32
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

8-Nitroquinoline
CID 11830
4-(4-Nitrobenzyl)pyridine
CID 14129
2,3-Diphenylpyrazine
CID 243907
2-[(2,4-Dinitrophenyl)methyl]pyridine
CID 70854
3-Methyl-4-nitroquinoline N-oxide
CID 26446
2-(4-Nitrophenyl)-3-(3-pyridinyl)acrylonitrile
CID 5742183
7-Methyl-8-nitroquinoline
CID 81981
3-Nitroquinoline
CID 25551
4-[2-(3-Nitrophenyl)ethenyl]pyridine
CID 788684
Pyridine, 2-((4-nitrophenyl)methyl)-
CID 69292
2,5-Diphenylpyrazine
CID 220958
4-(4-Nitrophenyl)pyridine
CID 259219

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2,4-diphenylpyridine?
The IUPAC name of 5-nitro-2,4-diphenylpyridine (CID 134841572) is 5-nitro-2,4-diphenylpyridine.
What is the SMILES notation for 5-nitro-2,4-diphenylpyridine?
The canonical SMILES for 5-nitro-2,4-diphenylpyridine is O=[N+]([O-])c1cnc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 5-nitro-2,4-diphenylpyridine?
The InChIKey is JDXCGDYTHZYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-19(21)17-12-18-16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 5-nitro-2,4-diphenylpyridine?
5-nitro-2,4-diphenylpyridine has a molecular weight of 276.30 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2,4-diphenylpyridine is sourced from PubChem (CID 134841572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).