2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

C7H5BrClN3 — CID 124518951

IUPAC2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Cl)c2nc(Br)nn2c1
InChIInChI=1S/C7H5BrClN3/c1-4-2-5(9)6-10-7(8)11-12(6)3-4/h2-3H,1H3
InChIKeyQADFAKOHTXIJDT-UHFFFAOYSA-N
MW246.50 g/mol
LogP2.45
Rot. Bonds

About 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 124518951) has the molecular formula C7H5BrClN3 and a molecular weight of 246.50 g/mol. Its IUPAC name is 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID124518951
Molecular FormulaC7H5BrClN3
Molecular Weight246.50 g/mol
Exact Mass244.94
IUPAC Name2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Cl)c2nc(Br)nn2c1
InChIInChI=1S/C7H5BrClN3/c1-4-2-5(9)6-10-7(8)11-12(6)3-4/h2-3H,1H3
InChIKeyQADFAKOHTXIJDT-UHFFFAOYSA-N
XLogP2.45
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 124518951) is 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(Cl)c2nc(Br)nn2c1.
What is the InChIKey of 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QADFAKOHTXIJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3/c1-4-2-5(9)6-10-7(8)11-12(6)3-4/h2-3H,1H3.
What are the key properties of 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 246.50 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 124518951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).