5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H10ClN3 — CID 117133090

IUPAC5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccccc1-c1nc2cccc(Cl)n2n1
InChIInChI=1S/C13H10ClN3/c1-9-5-2-3-6-10(9)13-15-12-8-4-7-11(14)17(12)16-13/h2-8H,1H3
InChIKeyGSVUIXNLEKTDPU-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.36
Rot. Bonds1

About 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117133090) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117133090
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccccc1-c1nc2cccc(Cl)n2n1
InChIInChI=1S/C13H10ClN3/c1-9-5-2-3-6-10(9)13-15-12-8-4-7-11(14)17(12)16-13/h2-8H,1H3
InChIKeyGSVUIXNLEKTDPU-UHFFFAOYSA-N
XLogP3.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117133090) is 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccccc1-c1nc2cccc(Cl)n2n1.
What is the InChIKey of 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GSVUIXNLEKTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-9-5-2-3-6-10(9)13-15-12-8-4-7-11(14)17(12)16-13/h2-8H,1H3.
What are the key properties of 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 243.70 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117133090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).