2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid

C12H12BrN3O2 — CID 103980174

IUPAC2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1nnc2ccc(Br)cn12
InChIInChI=1S/C12H12BrN3O2/c13-7-4-5-10-14-15-11(16(10)6-7)8-2-1-3-9(8)12(17)18/h4-6,8-9H,1-3H2,(H,17,18)
InChIKeyLQMGMAWSLXXDGE-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.46
Rot. Bonds2

About 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid

2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 103980174) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid
PubChem CID103980174
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1nnc2ccc(Br)cn12
InChIInChI=1S/C12H12BrN3O2/c13-7-4-5-10-14-15-11(16(10)6-7)8-2-1-3-9(8)12(17)18/h4-6,8-9H,1-3H2,(H,17,18)
InChIKeyLQMGMAWSLXXDGE-UHFFFAOYSA-N
XLogP2.46
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[8-Methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoic acid
CID 153536702
3-[3-(Difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoic acid
CID 156756578
2-Methyl-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoic acid
CID 156756580
3-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoic acid
CID 156756641
5-[6-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid
CID 62874514
2-(6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,5-difluorobenzoic acid
CID 65603116
2-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetic acid
CID 82622590
2-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetic acid
CID 82622592
3-[6-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopentane-1-carboxylic acid
CID 103552396
2-[6-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopentane-1-carboxylic acid
CID 103980169
2-Fluoro-2-{[1,2,4]triazolo[4,3-a]pyridin-6-yl}acetic acid
CID 165493438
2,2-Difluoro-2-{[1,2,4]triazolo[4,3-a]pyridin-6-yl}acetic acid
CID 165835370

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid (CID 103980174) is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1nnc2ccc(Br)cn12.
What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is LQMGMAWSLXXDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-7-4-5-10-14-15-11(16(10)6-7)8-2-1-3-9(8)12(17)18/h4-6,8-9H,1-3H2,(H,17,18).
What are the key properties of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid?
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 310.15 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103980174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).