5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine

C14H9BrF3N5O — CID 130302460

IUPAC5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFc1ccc(-n2cc(COc3ncc(Br)cn3)nn2)cc1C(F)F
InChIInChI=1S/C14H9BrF3N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2
InChIKeyGGIDVPDWWXIYLD-UHFFFAOYSA-N
MW400.16 g/mol
LogP3.48
Rot. Bonds5

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

5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 130302460) has the molecular formula C14H9BrF3N5O and a molecular weight of 400.16 g/mol. Its IUPAC name is 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID130302460
Molecular FormulaC14H9BrF3N5O
Molecular Weight400.16 g/mol
Exact Mass398.99
IUPAC Name5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFc1ccc(-n2cc(COc3ncc(Br)cn3)nn2)cc1C(F)F
InChIInChI=1S/C14H9BrF3N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2
InChIKeyGGIDVPDWWXIYLD-UHFFFAOYSA-N
XLogP3.48
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine 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-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine (CID 130302460) is 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine is Fc1ccc(-n2cc(COc3ncc(Br)cn3)nn2)cc1C(F)F.
What is the InChIKey of 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is GGIDVPDWWXIYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2.
What are the key properties of 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine?
5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine has a molecular weight of 400.16 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130302460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).