5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C10H8ClF4N3 — CID 134457774

IUPAC5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2c(F)cc(C(F)(F)F)c(Cl)n2n1
InChIInChI=1S/C10H8ClF4N3/c1-4(2)8-16-9-6(12)3-5(10(13,14)15)7(11)18(9)17-8/h3-4H,1-2H3
InChIKeyRFHSPGXEASPVCX-UHFFFAOYSA-N
MW281.64 g/mol
LogP3.66
Rot. Bonds1

About 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134457774) has the molecular formula C10H8ClF4N3 and a molecular weight of 281.64 g/mol. Its IUPAC name is 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134457774
Molecular FormulaC10H8ClF4N3
Molecular Weight281.64 g/mol
Exact Mass281.03
IUPAC Name5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1nc2c(F)cc(C(F)(F)F)c(Cl)n2n1
InChIInChI=1S/C10H8ClF4N3/c1-4(2)8-16-9-6(12)3-5(10(13,14)15)7(11)18(9)17-8/h3-4H,1-2H3
InChIKeyRFHSPGXEASPVCX-UHFFFAOYSA-N
XLogP3.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.64
LogP ≤ 53.66
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-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 134457774) is 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)c1nc2c(F)cc(C(F)(F)F)c(Cl)n2n1.
What is the InChIKey of 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RFHSPGXEASPVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4N3/c1-4(2)8-16-9-6(12)3-5(10(13,14)15)7(11)18(9)17-8/h3-4H,1-2H3.
What are the key properties of 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 281.64 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-fluoro-2-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134457774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).