2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine

C7H5BrClN3 — CID 118482511

IUPAC2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccc2nc(CBr)nn2c1
InChIInChI=1S/C7H5BrClN3/c8-3-6-10-7-2-1-5(9)4-12(7)11-6/h1-2,4H,3H2
InChIKeyMLAWRTOFMORVRE-UHFFFAOYSA-N
MW246.50 g/mol
LogP2.28
Rot. Bonds1

About 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine

2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 118482511) has the molecular formula C7H5BrClN3 and a molecular weight of 246.50 g/mol. Its IUPAC name is 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID118482511
Molecular FormulaC7H5BrClN3
Molecular Weight246.50 g/mol
Exact Mass244.94
IUPAC Name2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccc2nc(CBr)nn2c1
InChIInChI=1S/C7H5BrClN3/c8-3-6-10-7-2-1-5(9)4-12(7)11-6/h1-2,4H,3H2
InChIKeyMLAWRTOFMORVRE-UHFFFAOYSA-N
XLogP2.28
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.50
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine (CID 118482511) is 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccc2nc(CBr)nn2c1.
What is the InChIKey of 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MLAWRTOFMORVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3/c8-3-6-10-7-2-1-5(9)4-12(7)11-6/h1-2,4H,3H2.
What are the key properties of 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine?
2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 246.50 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 118482511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).