5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine

C12H6Cl3N3 — CID 627056

IUPAC5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(Cl)c1-c1nnc2cccc(Cl)n12
InChIInChI=1S/C12H6Cl3N3/c13-7-3-1-4-8(14)11(7)12-17-16-10-6-2-5-9(15)18(10)12/h1-6H
InChIKeyJOHBKUWNNBRRRX-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.36
Rot. Bonds1

About 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 627056) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID627056
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1cccc(Cl)c1-c1nnc2cccc(Cl)n12
InChIInChI=1S/C12H6Cl3N3/c13-7-3-1-4-8(14)11(7)12-17-16-10-6-2-5-9(15)18(10)12/h1-6H
InChIKeyJOHBKUWNNBRRRX-UHFFFAOYSA-N
XLogP4.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.36
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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Related Compounds

3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
6-Chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 748270
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
5-Chloro-3-ethyl-1,2,4-triazolo[4,3-a]pyridine
CID 324444
5-Chloro-3-(3-nitrophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 623626
3-(4-Chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 753149
6-Chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 911462
5-(2,3-Dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556507
7-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3152515
6-Chloro-3-(2,6-dichloro-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 706624
3-(2,6-Dichlorophenyl)-6-(4-morpholinyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1283104
PD-171729
CID 9800614

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 627056) is 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1cccc(Cl)c1-c1nnc2cccc(Cl)n12.
What is the InChIKey of 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JOHBKUWNNBRRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-7-3-1-4-8(14)11(7)12-17-16-10-6-2-5-9(15)18(10)12/h1-6H.
What are the key properties of 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 298.56 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 627056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).