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

C15H9ClF4N4O — CID 171547751

IUPAC5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2cc(F)cc(F)c2)nnc1-c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C15H9ClF4N4O/c1-24-12(7-2-9(17)5-10(18)3-7)22-23-13(24)11-4-8(16)6-21-14(11)25-15(19)20/h2-6,15H,1H3
InChIKeyVCTMYFNHTBNTNX-UHFFFAOYSA-N
MW372.71 g/mol
LogP4.08
Rot. Bonds4

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

5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 171547751) has the molecular formula C15H9ClF4N4O and a molecular weight of 372.71 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID171547751
Molecular FormulaC15H9ClF4N4O
Molecular Weight372.71 g/mol
Exact Mass372.04
IUPAC Name5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2cc(F)cc(F)c2)nnc1-c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C15H9ClF4N4O/c1-24-12(7-2-9(17)5-10(18)3-7)22-23-13(24)11-4-8(16)6-21-14(11)25-15(19)20/h2-6,15H,1H3
InChIKeyVCTMYFNHTBNTNX-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]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 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine (CID 171547751) is 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine is Cn1c(-c2cc(F)cc(F)c2)nnc1-c1cc(Cl)cnc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is VCTMYFNHTBNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N4O/c1-24-12(7-2-9(17)5-10(18)3-7)22-23-13(24)11-4-8(16)6-21-14(11)25-15(19)20/h2-6,15H,1H3.
What are the key properties of 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine?
5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 372.71 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)-3-[5-(3,5-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 171547751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).