5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine

C15H9ClF4N4O — CID 130309713

IUPAC5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine
SMILESFc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1C(F)(F)F
InChIInChI=1S/C15H9ClF4N4O/c16-9-1-4-14(21-6-9)25-8-10-7-24(23-22-10)11-2-3-13(17)12(5-11)15(18,19)20/h1-7H,8H2
InChIKeyCIPPVTIHHWNQOI-UHFFFAOYSA-N
MW372.71 g/mol
LogP4.05
Rot. Bonds4

About 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine

5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine (PubChem CID 130309713) has the molecular formula C15H9ClF4N4O and a molecular weight of 372.71 g/mol. Its IUPAC name is 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine
PubChem CID130309713
Molecular FormulaC15H9ClF4N4O
Molecular Weight372.71 g/mol
Exact Mass372.04
IUPAC Name5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine
SMILESFc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1C(F)(F)F
InChIInChI=1S/C15H9ClF4N4O/c16-9-1-4-14(21-6-9)25-8-10-7-24(23-22-10)11-2-3-13(17)12(5-11)15(18,19)20/h1-7H,8H2
InChIKeyCIPPVTIHHWNQOI-UHFFFAOYSA-N
XLogP4.05
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.71
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine?
The IUPAC name of 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine (CID 130309713) is 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine?
The canonical SMILES for 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine is Fc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine?
The InChIKey is CIPPVTIHHWNQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N4O/c16-9-1-4-14(21-6-9)25-8-10-7-24(23-22-10)11-2-3-13(17)12(5-11)15(18,19)20/h1-7H,8H2.
What are the key properties of 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine?
5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine has a molecular weight of 372.71 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyridine is sourced from PubChem (CID 130309713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).