2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine

C23H15ClN2O2 — CID 57034038

IUPAC2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine
SMILESO=[N+]([O-])c1cc(-c2ncc(-c3ccccc3)cc2-c2ccccc2)ccc1Cl
InChIInChI=1S/C23H15ClN2O2/c24-21-12-11-18(14-22(21)26(27)28)23-20(17-9-5-2-6-10-17)13-19(15-25-23)16-7-3-1-4-8-16/h1-15H
InChIKeyRIWGZFBWKXXSLM-UHFFFAOYSA-N
MW386.84 g/mol
LogP6.64
Rot. Bonds4

About 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine

2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine (PubChem CID 57034038) has the molecular formula C23H15ClN2O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine.

Molecular Properties

Compound Name2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine
PubChem CID57034038
Molecular FormulaC23H15ClN2O2
Molecular Weight386.84 g/mol
Exact Mass386.08
IUPAC Name2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine
SMILESO=[N+]([O-])c1cc(-c2ncc(-c3ccccc3)cc2-c2ccccc2)ccc1Cl
InChIInChI=1S/C23H15ClN2O2/c24-21-12-11-18(14-22(21)26(27)28)23-20(17-9-5-2-6-10-17)13-19(15-25-23)16-7-3-1-4-8-16/h1-15H
InChIKeyRIWGZFBWKXXSLM-UHFFFAOYSA-N
XLogP6.64
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 56.64
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 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine?
The IUPAC name of 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine (CID 57034038) is 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine.
What is the SMILES notation for 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine?
The canonical SMILES for 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine is O=[N+]([O-])c1cc(-c2ncc(-c3ccccc3)cc2-c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine?
The InChIKey is RIWGZFBWKXXSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2/c24-21-12-11-18(14-22(21)26(27)28)23-20(17-9-5-2-6-10-17)13-19(15-25-23)16-7-3-1-4-8-16/h1-15H.
What are the key properties of 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine?
2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine has a molecular weight of 386.84 g/mol, XLogP of 6.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-nitrophenyl)-3,5-diphenylpyridine is sourced from PubChem (CID 57034038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).