5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine

C15H10ClF3N4O — CID 130309469

IUPAC5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
SMILESFc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1C(F)F
InChIInChI=1S/C15H10ClF3N4O/c16-9-1-4-14(20-6-9)24-8-10-7-23(22-21-10)11-2-3-13(17)12(5-11)15(18)19/h1-7,15H,8H2
InChIKeyTXKOLHISXQEJFK-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.97
Rot. Bonds5

About 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine

5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine (PubChem CID 130309469) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
PubChem CID130309469
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
SMILESFc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1C(F)F
InChIInChI=1S/C15H10ClF3N4O/c16-9-1-4-14(20-6-9)24-8-10-7-23(22-21-10)11-2-3-13(17)12(5-11)15(18)19/h1-7,15H,8H2
InChIKeyTXKOLHISXQEJFK-UHFFFAOYSA-N
XLogP3.97
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.97
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-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
The IUPAC name of 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine (CID 130309469) is 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
The canonical SMILES for 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine is Fc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1C(F)F.
What is the InChIKey of 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
The InChIKey is TXKOLHISXQEJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c16-9-1-4-14(20-6-9)24-8-10-7-23(22-21-10)11-2-3-13(17)12(5-11)15(18)19/h1-7,15H,8H2.
What are the key properties of 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine has a molecular weight of 354.72 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine is sourced from PubChem (CID 130309469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).