7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine

C12H7BrClN3 — CID 117135366

IUPAC7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc(-c2nc3cc(Br)ccn3n2)c1
InChIInChI=1S/C12H7BrClN3/c13-9-4-5-17-11(7-9)15-12(16-17)8-2-1-3-10(14)6-8/h1-7H
InChIKeyYYGVBOBPENRUTF-UHFFFAOYSA-N
MW308.57 g/mol
LogP3.81
Rot. Bonds1

About 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine

7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117135366) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117135366
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1cccc(-c2nc3cc(Br)ccn3n2)c1
InChIInChI=1S/C12H7BrClN3/c13-9-4-5-17-11(7-9)15-12(16-17)8-2-1-3-10(14)6-8/h1-7H
InChIKeyYYGVBOBPENRUTF-UHFFFAOYSA-N
XLogP3.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117135366) is 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1cccc(-c2nc3cc(Br)ccn3n2)c1.
What is the InChIKey of 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YYGVBOBPENRUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-9-4-5-17-11(7-9)15-12(16-17)8-2-1-3-10(14)6-8/h1-7H.
What are the key properties of 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 308.57 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117135366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).