6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid

C8H5ClN4O2 — CID 171772651

IUPAC6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1-n1nccn1
InChIInChI=1S/C8H5ClN4O2/c9-6-2-1-5(7(12-6)8(14)15)13-10-3-4-11-13/h1-4H,(H,14,15)
InChIKeyQUBBQUWCLCPAOO-UHFFFAOYSA-N
MW224.61 g/mol
LogP1.01
Rot. Bonds2

About 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid

6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid (PubChem CID 171772651) has the molecular formula C8H5ClN4O2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid
PubChem CID171772651
Molecular FormulaC8H5ClN4O2
Molecular Weight224.61 g/mol
Exact Mass224.01
IUPAC Name6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1-n1nccn1
InChIInChI=1S/C8H5ClN4O2/c9-6-2-1-5(7(12-6)8(14)15)13-10-3-4-11-13/h1-4H,(H,14,15)
InChIKeyQUBBQUWCLCPAOO-UHFFFAOYSA-N
XLogP1.01
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-3-(triazol-2-yl)pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid (CID 171772651) is 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid is O=C(O)c1nc(Cl)ccc1-n1nccn1.
What is the InChIKey of 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid?
The InChIKey is QUBBQUWCLCPAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O2/c9-6-2-1-5(7(12-6)8(14)15)13-10-3-4-11-13/h1-4H,(H,14,15).
What are the key properties of 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid?
6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid has a molecular weight of 224.61 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 171772651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).