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

C8H4BrClFN3 — CID 163752627

IUPAC4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole
SMILESFc1ccc(-c2n[nH]nc2Cl)c(Br)c1
InChIInChI=1S/C8H4BrClFN3/c9-6-3-4(11)1-2-5(6)7-8(10)13-14-12-7/h1-3H,(H,12,13,14)
InChIKeyLRHUJLKNZQYCQD-UHFFFAOYSA-N
MW276.50 g/mol
LogP3.03
Rot. Bonds1

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

4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole (PubChem CID 163752627) has the molecular formula C8H4BrClFN3 and a molecular weight of 276.50 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole
PubChem CID163752627
Molecular FormulaC8H4BrClFN3
Molecular Weight276.50 g/mol
Exact Mass274.93
IUPAC Name4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole
SMILESFc1ccc(-c2n[nH]nc2Cl)c(Br)c1
InChIInChI=1S/C8H4BrClFN3/c9-6-3-4(11)1-2-5(6)7-8(10)13-14-12-7/h1-3H,(H,12,13,14)
InChIKeyLRHUJLKNZQYCQD-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
CID 107282995
2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
CID 107282777
2-bromo-4-chloro-1-(4-fluorophenyl)benzene
CID 168802728
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
ethyl 5-(2-chloro-4-fluorophenyl)-2H-triazole-4-carboxylate
CID 169399029
5-(2-bromo-4-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
CID 114060782
[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660255
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
2-bromo-4-fluoro-1-(3-methylphenyl)benzene
CID 91110930
4-(2-bromo-5-fluorophenyl)-2H-triazole
CID 130802462
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
2-bromo-4-fluorophenolate
CID 154609480

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole?
The IUPAC name of 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole (CID 163752627) is 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole.
What is the SMILES notation for 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole?
The canonical SMILES for 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole is Fc1ccc(-c2n[nH]nc2Cl)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole?
The InChIKey is LRHUJLKNZQYCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClFN3/c9-6-3-4(11)1-2-5(6)7-8(10)13-14-12-7/h1-3H,(H,12,13,14).
What are the key properties of 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole?
4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole has a molecular weight of 276.50 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole is sourced from PubChem (CID 163752627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).