3-nitro-2,4-diphenylpyridine

C17H12N2O2 — CID 134841573

IUPAC3-nitro-2,4-diphenylpyridine
SMILESO=[N+]([O-])c1c(-c2ccccc2)ccnc1-c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-15(13-7-3-1-4-8-13)11-12-18-16(17)14-9-5-2-6-10-14/h1-12H
InChIKeyRJWNEKIYPHPCCA-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.32
Rot. Bonds3

About 3-nitro-2,4-diphenylpyridine

3-nitro-2,4-diphenylpyridine (PubChem CID 134841573) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-nitro-2,4-diphenylpyridine.

Molecular Properties

Compound Name3-nitro-2,4-diphenylpyridine
PubChem CID134841573
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-nitro-2,4-diphenylpyridine
SMILESO=[N+]([O-])c1c(-c2ccccc2)ccnc1-c1ccccc1
InChIInChI=1S/C17H12N2O2/c20-19(21)17-15(13-7-3-1-4-8-13)11-12-18-16(17)14-9-5-2-6-10-14/h1-12H
InChIKeyRJWNEKIYPHPCCA-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 3-nitro-2,4-diphenylpyridine?
The IUPAC name of 3-nitro-2,4-diphenylpyridine (CID 134841573) is 3-nitro-2,4-diphenylpyridine.
What is the SMILES notation for 3-nitro-2,4-diphenylpyridine?
The canonical SMILES for 3-nitro-2,4-diphenylpyridine is O=[N+]([O-])c1c(-c2ccccc2)ccnc1-c1ccccc1.
What is the InChIKey of 3-nitro-2,4-diphenylpyridine?
The InChIKey is RJWNEKIYPHPCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-19(21)17-15(13-7-3-1-4-8-13)11-12-18-16(17)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 3-nitro-2,4-diphenylpyridine?
3-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 3-nitro-2,4-diphenylpyridine is sourced from PubChem (CID 134841573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).