8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid

C7H3BrFN3O2 — CID 131677043

IUPAC8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(Br)cc(F)cn2n1
InChIInChI=1S/C7H3BrFN3O2/c8-4-1-3(9)2-12-6(4)10-5(11-12)7(13)14/h1-2H,(H,13,14)
InChIKeyFGZZXRKBNHRPCJ-UHFFFAOYSA-N
MW260.02 g/mol
LogP1.33
Rot. Bonds1

About 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid

8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 131677043) has the molecular formula C7H3BrFN3O2 and a molecular weight of 260.02 g/mol. Its IUPAC name is 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID131677043
Molecular FormulaC7H3BrFN3O2
Molecular Weight260.02 g/mol
Exact Mass258.94
IUPAC Name8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(Br)cc(F)cn2n1
InChIInChI=1S/C7H3BrFN3O2/c8-4-1-3(9)2-12-6(4)10-5(11-12)7(13)14/h1-2H,(H,13,14)
InChIKeyFGZZXRKBNHRPCJ-UHFFFAOYSA-N
XLogP1.33
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.02
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-6-fluoropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 131697615
6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
CID 131677193
8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159393255
1-(2-bromo-4-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652600
1-(2-bromo-4,6-difluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652644
1-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid
CID 107615440
8-bromo-6-fluoro-2-methylimidazo[1,2-a]pyridine
CID 82473986
2-bromo-6-fluoro-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 129216603
5-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382903
8-bromo-6-fluoro-2-phenylimidazo[1,2-a]pyridine
CID 82489759
2,8-dibromo-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 169449278
1-(3,4-difluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxylic acid
CID 43652501

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid (CID 131677043) is 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(Br)cc(F)cn2n1.
What is the InChIKey of 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is FGZZXRKBNHRPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN3O2/c8-4-1-3(9)2-12-6(4)10-5(11-12)7(13)14/h1-2H,(H,13,14).
What are the key properties of 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid?
8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 260.02 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 131677043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).