2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C8H5Cl2N3O2 — CID 82566850

IUPAC2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(C(Cl)Cl)nn2c1
InChIInChI=1S/C8H5Cl2N3O2/c9-6(10)7-11-5-2-1-4(8(14)15)3-13(5)12-7/h1-3,6H,(H,14,15)
InChIKeyASMJOVSWVJHHQQ-UHFFFAOYSA-N
MW246.05 g/mol
LogP1.90
Rot. Bonds2

About 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 82566850) has the molecular formula C8H5Cl2N3O2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID82566850
Molecular FormulaC8H5Cl2N3O2
Molecular Weight246.05 g/mol
Exact Mass244.98
IUPAC Name2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(C(Cl)Cl)nn2c1
InChIInChI=1S/C8H5Cl2N3O2/c9-6(10)7-11-5-2-1-4(8(14)15)3-13(5)12-7/h1-3,6H,(H,14,15)
InChIKeyASMJOVSWVJHHQQ-UHFFFAOYSA-N
XLogP1.90
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 82566850) is 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(C(Cl)Cl)nn2c1.
What is the InChIKey of 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is ASMJOVSWVJHHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O2/c9-6(10)7-11-5-2-1-4(8(14)15)3-13(5)12-7/h1-3,6H,(H,14,15).
What are the key properties of 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 246.05 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82566850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).