3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C11H5BrClN3O2S — CID 114021782

IUPAC3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nnc(-c3csc(Br)c3)n2c1
InChIInChI=1S/C11H5BrClN3O2S/c12-8-2-6(4-19-8)9-14-15-10-7(13)1-5(11(17)18)3-16(9)10/h1-4H,(H,17,18)
InChIKeyCGLOLTPTMCEPGV-UHFFFAOYSA-N
MW358.60 g/mol
LogP3.57
Rot. Bonds2

About 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 114021782) has the molecular formula C11H5BrClN3O2S and a molecular weight of 358.60 g/mol. Its IUPAC name is 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID114021782
Molecular FormulaC11H5BrClN3O2S
Molecular Weight358.60 g/mol
Exact Mass356.90
IUPAC Name3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nnc(-c3csc(Br)c3)n2c1
InChIInChI=1S/C11H5BrClN3O2S/c12-8-2-6(4-19-8)9-14-15-10-7(13)1-5(11(17)18)3-16(9)10/h1-4H,(H,17,18)
InChIKeyCGLOLTPTMCEPGV-UHFFFAOYSA-N
XLogP3.57
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 114021782) is 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1cc(Cl)c2nnc(-c3csc(Br)c3)n2c1.
What is the InChIKey of 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is CGLOLTPTMCEPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClN3O2S/c12-8-2-6(4-19-8)9-14-15-10-7(13)1-5(11(17)18)3-16(9)10/h1-4H,(H,17,18).
What are the key properties of 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 358.60 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-3-yl)-8-chloro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 114021782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).