6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

C7H5BrFN3 — CID 134516563

IUPAC6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2c(F)cc(Br)cn12
InChIInChI=1S/C7H5BrFN3/c1-4-10-11-7-6(9)2-5(8)3-12(4)7/h2-3H,1H3
InChIKeyBMOKTMOKDDJDRY-UHFFFAOYSA-N
MW230.04 g/mol
LogP1.94
Rot. Bonds

About 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 134516563) has the molecular formula C7H5BrFN3 and a molecular weight of 230.04 g/mol. Its IUPAC name is 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID134516563
Molecular FormulaC7H5BrFN3
Molecular Weight230.04 g/mol
Exact Mass228.97
IUPAC Name6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2c(F)cc(Br)cn12
InChIInChI=1S/C7H5BrFN3/c1-4-10-11-7-6(9)2-5(8)3-12(4)7/h2-3H,1H3
InChIKeyBMOKTMOKDDJDRY-UHFFFAOYSA-N
XLogP1.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 134516563) is 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2c(F)cc(Br)cn12.
What is the InChIKey of 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BMOKTMOKDDJDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFN3/c1-4-10-11-7-6(9)2-5(8)3-12(4)7/h2-3H,1H3.
What are the key properties of 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 230.04 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 134516563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).