6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid

C8H6BrN3O3 — CID 131677193

IUPAC6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCOc1cc2nc(C(=O)O)nn2cc1Br
InChIInChI=1S/C8H6BrN3O3/c1-15-5-2-6-10-7(8(13)14)11-12(6)3-4(5)9/h2-3H,1H3,(H,13,14)
InChIKeyGEMIFIMQGHDMAT-UHFFFAOYSA-N
MW272.06 g/mol
LogP1.20
Rot. Bonds2

About 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid

6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 131677193) has the molecular formula C8H6BrN3O3 and a molecular weight of 272.06 g/mol. Its IUPAC name is 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID131677193
Molecular FormulaC8H6BrN3O3
Molecular Weight272.06 g/mol
Exact Mass270.96
IUPAC Name6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCOc1cc2nc(C(=O)O)nn2cc1Br
InChIInChI=1S/C8H6BrN3O3/c1-15-5-2-6-10-7(8(13)14)11-12(6)3-4(5)9/h2-3H,1H3,(H,13,14)
InChIKeyGEMIFIMQGHDMAT-UHFFFAOYSA-N
XLogP1.20
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82555678
4-(6-bromo-7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclohexane-1-carboxylic acid
CID 155438682
2-amino-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82555680
8-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid
CID 131677043
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
(6-bromo-7-methoxyimidazo[1,2-a]pyridin-3-yl)methanol
CID 169098659
5-(4-bromo-2-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115370000
2-(4-bromo-3-methoxyphenyl)-2-oxoacetic acid
CID 146888636
4-bromo-2-iodo-5-methoxybenzoic acid
CID 131589494
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
7-bromo-6-methoxy-2-oxochromene-3-carboxylic acid
CID 166609230
2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82566821

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid (CID 131677193) is 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid is COc1cc2nc(C(=O)O)nn2cc1Br.
What is the InChIKey of 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is GEMIFIMQGHDMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O3/c1-15-5-2-6-10-7(8(13)14)11-12(6)3-4(5)9/h2-3H,1H3,(H,13,14).
What are the key properties of 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid?
6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 272.06 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 131677193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).