6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C7H3BrClF2N3 — CID 58118909

IUPAC6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(Cl)c1nnc2ccc(Br)cn12
InChIInChI=1S/C7H3BrClF2N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H
InChIKeyZJURQHQLSIUHFJ-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.78
Rot. Bonds1

About 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 58118909) has the molecular formula C7H3BrClF2N3 and a molecular weight of 282.48 g/mol. Its IUPAC name is 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID58118909
Molecular FormulaC7H3BrClF2N3
Molecular Weight282.48 g/mol
Exact Mass280.92
IUPAC Name6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(Cl)c1nnc2ccc(Br)cn12
InChIInChI=1S/C7H3BrClF2N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H
InChIKeyZJURQHQLSIUHFJ-UHFFFAOYSA-N
XLogP2.78
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.78
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 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 58118909) is 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(Cl)c1nnc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZJURQHQLSIUHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H.
What are the key properties of 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 282.48 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 58118909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).