3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

C18H10ClF3N4O — CID 12009963

IUPAC3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cccc(Oc2ncc(Cl)cc2-c2nnc3ccccn23)c1
InChIInChI=1S/C18H10ClF3N4O/c19-12-9-14(16-25-24-15-6-1-2-7-26(15)16)17(23-10-12)27-13-5-3-4-11(8-13)18(20,21)22/h1-10H
InChIKeyXSLUYGJWCNDVGW-UHFFFAOYSA-N
MW390.75 g/mol
LogP5.26
Rot. Bonds3

About 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 12009963) has the molecular formula C18H10ClF3N4O and a molecular weight of 390.75 g/mol. Its IUPAC name is 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID12009963
Molecular FormulaC18H10ClF3N4O
Molecular Weight390.75 g/mol
Exact Mass390.05
IUPAC Name3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cccc(Oc2ncc(Cl)cc2-c2nnc3ccccn23)c1
InChIInChI=1S/C18H10ClF3N4O/c19-12-9-14(16-25-24-15-6-1-2-7-26(15)16)17(23-10-12)27-13-5-3-4-11(8-13)18(20,21)22/h1-10H
InChIKeyXSLUYGJWCNDVGW-UHFFFAOYSA-N
XLogP5.26
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.75
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 12009963) is 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1cccc(Oc2ncc(Cl)cc2-c2nnc3ccccn23)c1.
What is the InChIKey of 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XSLUYGJWCNDVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N4O/c19-12-9-14(16-25-24-15-6-1-2-7-26(15)16)17(23-10-12)27-13-5-3-4-11(8-13)18(20,21)22/h1-10H.
What are the key properties of 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 390.75 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 12009963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).