4-nitro-2,5-diphenylpyridine

C17H12N2O2 — CID 56647199

IUPAC4-nitro-2,5-diphenylpyridine
SMILESO=[N+]([O-])c1cc(-c2ccccc2)ncc1-c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-11-16(14-9-5-2-6-10-14)18-12-15(17)13-7-3-1-4-8-13/h1-12H
InChIKeyPTWOMANBWSZERO-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.32
Rot. Bonds3

About 4-nitro-2,5-diphenylpyridine

4-nitro-2,5-diphenylpyridine (PubChem CID 56647199) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-nitro-2,5-diphenylpyridine.

Molecular Properties

Compound Name4-nitro-2,5-diphenylpyridine
PubChem CID56647199
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name4-nitro-2,5-diphenylpyridine
SMILESO=[N+]([O-])c1cc(-c2ccccc2)ncc1-c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-11-16(14-9-5-2-6-10-14)18-12-15(17)13-7-3-1-4-8-13/h1-12H
InChIKeyPTWOMANBWSZERO-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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Frequently Asked Questions

What is the IUPAC name of 4-nitro-2,5-diphenylpyridine?
The IUPAC name of 4-nitro-2,5-diphenylpyridine (CID 56647199) is 4-nitro-2,5-diphenylpyridine.
What is the SMILES notation for 4-nitro-2,5-diphenylpyridine?
The canonical SMILES for 4-nitro-2,5-diphenylpyridine is O=[N+]([O-])c1cc(-c2ccccc2)ncc1-c1ccccc1.
What is the InChIKey of 4-nitro-2,5-diphenylpyridine?
The InChIKey is PTWOMANBWSZERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-19(21)17-11-16(14-9-5-2-6-10-14)18-12-15(17)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 4-nitro-2,5-diphenylpyridine?
4-nitro-2,5-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 4-nitro-2,5-diphenylpyridine is sourced from PubChem (CID 56647199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).