2-chloro-3,6-diphenylpyridine

C17H12ClN — CID 165358662

IUPAC2-chloro-3,6-diphenylpyridine
SMILESClc1nc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C17H12ClN/c18-17-15(13-7-3-1-4-8-13)11-12-16(19-17)14-9-5-2-6-10-14/h1-12H
InChIKeyQEWPAALXSCTMIZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP5.07
Rot. Bonds2

About 2-chloro-3,6-diphenylpyridine

2-chloro-3,6-diphenylpyridine (PubChem CID 165358662) has the molecular formula C17H12ClN and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-3,6-diphenylpyridine.

Molecular Properties

Compound Name2-chloro-3,6-diphenylpyridine
PubChem CID165358662
Molecular FormulaC17H12ClN
Molecular Weight265.74 g/mol
Exact Mass265.07
IUPAC Name2-chloro-3,6-diphenylpyridine
SMILESClc1nc(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C17H12ClN/c18-17-15(13-7-3-1-4-8-13)11-12-16(19-17)14-9-5-2-6-10-14/h1-12H
InChIKeyQEWPAALXSCTMIZ-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.74
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-diphenylpyridine?
The IUPAC name of 2-chloro-3,6-diphenylpyridine (CID 165358662) is 2-chloro-3,6-diphenylpyridine.
What is the SMILES notation for 2-chloro-3,6-diphenylpyridine?
The canonical SMILES for 2-chloro-3,6-diphenylpyridine is Clc1nc(-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 2-chloro-3,6-diphenylpyridine?
The InChIKey is QEWPAALXSCTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN/c18-17-15(13-7-3-1-4-8-13)11-12-16(19-17)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-chloro-3,6-diphenylpyridine?
2-chloro-3,6-diphenylpyridine has a molecular weight of 265.74 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-diphenylpyridine is sourced from PubChem (CID 165358662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).