5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C9H5ClF3N3 — CID 140866081

IUPAC5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=Cc1ccc2nc(C(F)(F)F)nn2c1Cl
InChIInChI=1S/C9H5ClF3N3/c1-2-5-3-4-6-14-8(9(11,12)13)15-16(6)7(5)10/h2-4H,1H2
InChIKeyLACDNVWMMJYNQP-UHFFFAOYSA-N
MW247.61 g/mol
LogP3.04
Rot. Bonds1

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

5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 140866081) has the molecular formula C9H5ClF3N3 and a molecular weight of 247.61 g/mol. Its IUPAC name is 5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID140866081
Molecular FormulaC9H5ClF3N3
Molecular Weight247.61 g/mol
Exact Mass247.01
IUPAC Name5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=Cc1ccc2nc(C(F)(F)F)nn2c1Cl
InChIInChI=1S/C9H5ClF3N3/c1-2-5-3-4-6-14-8(9(11,12)13)15-16(6)7(5)10/h2-4H,1H2
InChIKeyLACDNVWMMJYNQP-UHFFFAOYSA-N
XLogP3.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.61
LogP ≤ 53.04
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-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 140866081) is 5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is C=Cc1ccc2nc(C(F)(F)F)nn2c1Cl.
What is the InChIKey of 5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LACDNVWMMJYNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3/c1-2-5-3-4-6-14-8(9(11,12)13)15-16(6)7(5)10/h2-4H,1H2.
What are the key properties of 5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 247.61 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 140866081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).