5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C7H3Cl2N3O2 — CID 139529600

IUPAC5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1c(Cl)cc(Cl)n2ncnc12
InChIInChI=1S/C7H3Cl2N3O2/c8-3-1-4(9)12-6(10-2-11-12)5(3)7(13)14/h1-2H,(H,13,14)
InChIKeyAHQDZUJIEVQJCS-UHFFFAOYSA-N
MW232.03 g/mol
LogP1.73
Rot. Bonds1

About 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 139529600) has the molecular formula C7H3Cl2N3O2 and a molecular weight of 232.03 g/mol. Its IUPAC name is 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID139529600
Molecular FormulaC7H3Cl2N3O2
Molecular Weight232.03 g/mol
Exact Mass230.96
IUPAC Name5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1c(Cl)cc(Cl)n2ncnc12
InChIInChI=1S/C7H3Cl2N3O2/c8-3-1-4(9)12-6(10-2-11-12)5(3)7(13)14/h1-2H,(H,13,14)
InChIKeyAHQDZUJIEVQJCS-UHFFFAOYSA-N
XLogP1.73
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 7-chloro-5-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate;methyl 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 159620050
6-chloro-[1,2,4]triazolo[1,5-b]pyridazine-7-carboxylic acid
CID 10488205
[1,2,4]triazolo[1,5-a]pyrazine-8-carboxylic acid
CID 84651764
2,5-dichloro-3-fluoropyridine-4-carboxylic acid
CID 11009178
5-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29274999
2,4,6-trichlorobenzoic acid;2,4,6-trichlorobenzoyl chloride
CID 161186868
4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt
CID 171921195
4,6-dichloro-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 162361663
7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84679300
4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 154729332
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25247790
2,4-dichloro-5-hydroxypyridine-3-carboxylic acid
CID 141452317

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 139529600) is 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1c(Cl)cc(Cl)n2ncnc12.
What is the InChIKey of 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is AHQDZUJIEVQJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O2/c8-3-1-4(9)12-6(10-2-11-12)5(3)7(13)14/h1-2H,(H,13,14).
What are the key properties of 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 232.03 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 139529600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).