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

C12H6Cl2FN3 — CID 624553

IUPAC5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(Cl)c1-c1nnc2cccc(Cl)n12
InChIInChI=1S/C12H6Cl2FN3/c13-7-3-1-4-8(15)11(7)12-17-16-10-6-2-5-9(14)18(10)12/h1-6H
InChIKeyIRQKKVFHJKNTAP-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.84
Rot. Bonds1

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

5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 624553) has the molecular formula C12H6Cl2FN3 and a molecular weight of 282.11 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID624553
Molecular FormulaC12H6Cl2FN3
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cccc(Cl)c1-c1nnc2cccc(Cl)n12
InChIInChI=1S/C12H6Cl2FN3/c13-7-3-1-4-8(15)11(7)12-17-16-10-6-2-5-9(14)18(10)12/h1-6H
InChIKeyIRQKKVFHJKNTAP-UHFFFAOYSA-N
XLogP3.84
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.84
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-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 624553) is 5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine is Fc1cccc(Cl)c1-c1nnc2cccc(Cl)n12.
What is the InChIKey of 5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IRQKKVFHJKNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN3/c13-7-3-1-4-8(15)11(7)12-17-16-10-6-2-5-9(14)18(10)12/h1-6H.
What are the key properties of 5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 282.11 g/mol, XLogP of 3.84, 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-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 624553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).