3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine

C17H14ClF3N4O — CID 90440684

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine
SMILESCC(F)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1
InChIInChI=1S/C17H14ClF3N4O/c1-10(19)15-23-9-25(24-15)8-11-5-14(12-3-2-4-13(18)6-12)16(22-7-11)26-17(20)21/h2-7,9-10,17H,8H2,1H3
InChIKeyICCJSXVHJIIZEW-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.67
Rot. Bonds6

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine (PubChem CID 90440684) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine
PubChem CID90440684
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine
SMILESCC(F)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1
InChIInChI=1S/C17H14ClF3N4O/c1-10(19)15-23-9-25(24-15)8-11-5-14(12-3-2-4-13(18)6-12)16(22-7-11)26-17(20)21/h2-7,9-10,17H,8H2,1H3
InChIKeyICCJSXVHJIIZEW-UHFFFAOYSA-N
XLogP4.67
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine (CID 90440684) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine is CC(F)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine?
The InChIKey is ICCJSXVHJIIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c1-10(19)15-23-9-25(24-15)8-11-5-14(12-3-2-4-13(18)6-12)16(22-7-11)26-17(20)21/h2-7,9-10,17H,8H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine has a molecular weight of 382.77 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 90440684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).