2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine

C18H12ClN3 — CID 163798613

IUPAC2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc(-c2nc3ccc(-c4ccccc4)cn3n2)c1
InChIInChI=1S/C18H12ClN3/c19-16-8-4-7-14(11-16)18-20-17-10-9-15(12-22(17)21-18)13-5-2-1-3-6-13/h1-12H
InChIKeyNCZNQIIMRIZPMW-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.72
Rot. Bonds2

About 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine

2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 163798613) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID163798613
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc(-c2nc3ccc(-c4ccccc4)cn3n2)c1
InChIInChI=1S/C18H12ClN3/c19-16-8-4-7-14(11-16)18-20-17-10-9-15(12-22(17)21-18)13-5-2-1-3-6-13/h1-12H
InChIKeyNCZNQIIMRIZPMW-UHFFFAOYSA-N
XLogP4.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 163798613) is 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccc(-c2nc3ccc(-c4ccccc4)cn3n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NCZNQIIMRIZPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-16-8-4-7-14(11-16)18-20-17-10-9-15(12-22(17)21-18)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 305.77 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 163798613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).