4-(2-bromo-4-fluorophenyl)-1,2,4-triazole

C8H5BrFN3 — CID 84703033

IUPAC4-(2-bromo-4-fluorophenyl)-1,2,4-triazole
SMILESFc1ccc(-n2cnnc2)c(Br)c1
InChIInChI=1S/C8H5BrFN3/c9-7-3-6(10)1-2-8(7)13-4-11-12-5-13/h1-5H
InChIKeyMRSOWZXHEDIWGT-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.17
Rot. Bonds1

About 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole

4-(2-bromo-4-fluorophenyl)-1,2,4-triazole (PubChem CID 84703033) has the molecular formula C8H5BrFN3 and a molecular weight of 242.05 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)-1,2,4-triazole
PubChem CID84703033
Molecular FormulaC8H5BrFN3
Molecular Weight242.05 g/mol
Exact Mass240.97
IUPAC Name4-(2-bromo-4-fluorophenyl)-1,2,4-triazole
SMILESFc1ccc(-n2cnnc2)c(Br)c1
InChIInChI=1S/C8H5BrFN3/c9-7-3-6(10)1-2-8(7)13-4-11-12-5-13/h1-5H
InChIKeyMRSOWZXHEDIWGT-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4-methylphenyl)-1,2,4-triazole
CID 84700533
[5-fluoro-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82016594
2-bromo-4-fluorophenolate
CID 154609480
1-(2-bromo-4-fluorophenyl)tetrazol-5-amine
CID 79506302
4-(4-bromo-2-chlorophenyl)-1,2,4-triazole
CID 84709540
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
1-(2-bromo-4-fluorophenyl)imidazolidine-2,4,5-trione
CID 43153915
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
1-(2-bromo-4-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652600
1-(2-bromo-4-fluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
CID 43318068
2-(2-bromo-4-fluorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 43119457
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole (CID 84703033) is 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole is Fc1ccc(-n2cnnc2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole?
The InChIKey is MRSOWZXHEDIWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3/c9-7-3-6(10)1-2-8(7)13-4-11-12-5-13/h1-5H.
What are the key properties of 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole?
4-(2-bromo-4-fluorophenyl)-1,2,4-triazole has a molecular weight of 242.05 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 84703033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).