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

C8H5BrClN3 — CID 84709540

IUPAC4-(4-bromo-2-chlorophenyl)-1,2,4-triazole
SMILESClc1cc(Br)ccc1-n1cnnc1
InChIInChI=1S/C8H5BrClN3/c9-6-1-2-8(7(10)3-6)13-4-11-12-5-13/h1-5H
InChIKeyJJBIQNSJKAMCNA-UHFFFAOYSA-N
MW258.51 g/mol
LogP2.68
Rot. Bonds1

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

4-(4-bromo-2-chlorophenyl)-1,2,4-triazole (PubChem CID 84709540) has the molecular formula C8H5BrClN3 and a molecular weight of 258.51 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenyl)-1,2,4-triazole
PubChem CID84709540
Molecular FormulaC8H5BrClN3
Molecular Weight258.51 g/mol
Exact Mass256.94
IUPAC Name4-(4-bromo-2-chlorophenyl)-1,2,4-triazole
SMILESClc1cc(Br)ccc1-n1cnnc1
InChIInChI=1S/C8H5BrClN3/c9-6-1-2-8(7(10)3-6)13-4-11-12-5-13/h1-5H
InChIKeyJJBIQNSJKAMCNA-UHFFFAOYSA-N
XLogP2.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.51
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(1,2,4-triazol-4-yl)aniline
CID 56828619
1-(4-bromo-2-chlorophenyl)-3-methyl-1,2,4-triazole
CID 150398834
4-bromo-2-(1,2,4-triazol-4-yl)benzonitrile
CID 84706834
4-(4-chloro-2-iodophenyl)-1,2,4-triazole
CID 66744706
N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine
CID 114203932
1-(4-bromo-2-chlorophenyl)-5-(bromomethyl)triazole
CID 130566437
1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061
9-(4-bromo-2-chlorophenyl)carbazole
CID 134843390
1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
4-(2-bromo-4-methylphenyl)-1,2,4-triazole
CID 84700533
1-(4-bromo-2-chlorophenyl)-4-methyltetrazol-5-one
CID 166166409
(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
CID 104942107

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole?
The IUPAC name of 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole (CID 84709540) is 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole is Clc1cc(Br)ccc1-n1cnnc1.
What is the InChIKey of 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole?
The InChIKey is JJBIQNSJKAMCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3/c9-6-1-2-8(7(10)3-6)13-4-11-12-5-13/h1-5H.
What are the key properties of 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole?
4-(4-bromo-2-chlorophenyl)-1,2,4-triazole has a molecular weight of 258.51 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 84709540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).