4-(2-bromo-5-fluorophenyl)-2H-triazole

C8H5BrFN3 — CID 130802462

IUPAC4-(2-bromo-5-fluorophenyl)-2H-triazole
SMILESFc1ccc(Br)c(-c2cn[nH]n2)c1
InChIInChI=1S/C8H5BrFN3/c9-7-2-1-5(10)3-6(7)8-4-11-13-12-8/h1-4H,(H,11,12,13)
InChIKeyTWWAVUHKWKWPSZ-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.37
Rot. Bonds1

About 4-(2-bromo-5-fluorophenyl)-2H-triazole

4-(2-bromo-5-fluorophenyl)-2H-triazole (PubChem CID 130802462) has the molecular formula C8H5BrFN3 and a molecular weight of 242.05 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorophenyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-bromo-5-fluorophenyl)-2H-triazole
PubChem CID130802462
Molecular FormulaC8H5BrFN3
Molecular Weight242.05 g/mol
Exact Mass240.97
IUPAC Name4-(2-bromo-5-fluorophenyl)-2H-triazole
SMILESFc1ccc(Br)c(-c2cn[nH]n2)c1
InChIInChI=1S/C8H5BrFN3/c9-7-2-1-5(10)3-6(7)8-4-11-13-12-8/h1-4H,(H,11,12,13)
InChIKeyTWWAVUHKWKWPSZ-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-bromo-5-fluorophenyl)-2H-triazole 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 4-(2-bromo-5-fluorophenyl)-2H-triazole?
The IUPAC name of 4-(2-bromo-5-fluorophenyl)-2H-triazole (CID 130802462) is 4-(2-bromo-5-fluorophenyl)-2H-triazole.
What is the SMILES notation for 4-(2-bromo-5-fluorophenyl)-2H-triazole?
The canonical SMILES for 4-(2-bromo-5-fluorophenyl)-2H-triazole is Fc1ccc(Br)c(-c2cn[nH]n2)c1.
What is the InChIKey of 4-(2-bromo-5-fluorophenyl)-2H-triazole?
The InChIKey is TWWAVUHKWKWPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3/c9-7-2-1-5(10)3-6(7)8-4-11-13-12-8/h1-4H,(H,11,12,13).
What are the key properties of 4-(2-bromo-5-fluorophenyl)-2H-triazole?
4-(2-bromo-5-fluorophenyl)-2H-triazole has a molecular weight of 242.05 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluorophenyl)-2H-triazole is sourced from PubChem (CID 130802462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).