2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C15H13N3O4 — CID 82566821

IUPAC2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1ccc(-c2nc3cc(C(=O)O)ccn3n2)cc1OC
InChIInChI=1S/C15H13N3O4/c1-21-11-4-3-9(7-12(11)22-2)14-16-13-8-10(15(19)20)5-6-18(13)17-14/h3-8H,1-2H3,(H,19,20)
InChIKeyBXAJWAXUPKBQCE-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.11
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 82566821) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID82566821
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1ccc(-c2nc3cc(C(=O)O)ccn3n2)cc1OC
InChIInChI=1S/C15H13N3O4/c1-21-11-4-3-9(7-12(11)22-2)14-16-13-8-10(15(19)20)5-6-18(13)17-14/h3-8H,1-2H3,(H,19,20)
InChIKeyBXAJWAXUPKBQCE-UHFFFAOYSA-N
XLogP2.11
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxybenzoic acid;methanol
CID 144580050
7-(3,4-dimethoxyphenyl)-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 141034771
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
4-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223762
1-(3,4-dimethoxyphenyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 155559977
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357527
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567442
3-(1-ethylimidazol-2-yl)oxy-4-methoxybenzoic acid
CID 79732848
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103442

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 82566821) is 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is COc1ccc(-c2nc3cc(C(=O)O)ccn3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is BXAJWAXUPKBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-21-11-4-3-9(7-12(11)22-2)14-16-13-8-10(15(19)20)5-6-18(13)17-14/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82566821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).