2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

C13H8BrF2N3 — CID 67345668

IUPAC2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ccc(F)c(F)c2)c2nc(Br)nn2c1
InChIInChI=1S/C13H8BrF2N3/c1-7-4-9(8-2-3-10(15)11(16)5-8)12-17-13(14)18-19(12)6-7/h2-6H,1H3
InChIKeyMZJSXXVXLPNTJS-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.75
Rot. Bonds1

About 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 67345668) has the molecular formula C13H8BrF2N3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID67345668
Molecular FormulaC13H8BrF2N3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ccc(F)c(F)c2)c2nc(Br)nn2c1
InChIInChI=1S/C13H8BrF2N3/c1-7-4-9(8-2-3-10(15)11(16)5-8)12-17-13(14)18-19(12)6-7/h2-6H,1H3
InChIKeyMZJSXXVXLPNTJS-UHFFFAOYSA-N
XLogP3.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 67345668) is 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2ccc(F)c(F)c2)c2nc(Br)nn2c1.
What is the InChIKey of 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MZJSXXVXLPNTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3/c1-7-4-9(8-2-3-10(15)11(16)5-8)12-17-13(14)18-19(12)6-7/h2-6H,1H3.
What are the key properties of 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 324.13 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(3,4-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 67345668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).