5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C14H12ClN3O2 — CID 705686

IUPAC5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3cccc(Cl)n23)c(OC)c1
InChIInChI=1S/C14H12ClN3O2/c1-19-9-6-7-10(11(8-9)20-2)14-17-16-13-5-3-4-12(15)18(13)14/h3-8H,1-2H3
InChIKeyBSDWSFRDCSMRPH-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.07
Rot. Bonds3

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

5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 705686) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID705686
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3cccc(Cl)n23)c(OC)c1
InChIInChI=1S/C14H12ClN3O2/c1-19-9-6-7-10(11(8-9)20-2)14-17-16-13-5-3-4-12(15)18(13)14/h3-8H,1-2H3
InChIKeyBSDWSFRDCSMRPH-UHFFFAOYSA-N
XLogP3.07
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 705686) is 5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2nnc3cccc(Cl)n23)c(OC)c1.
What is the InChIKey of 5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BSDWSFRDCSMRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-19-9-6-7-10(11(8-9)20-2)14-17-16-13-5-3-4-12(15)18(13)14/h3-8H,1-2H3.
What are the key properties of 5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 289.72 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 705686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).