4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole

C9H6BrClFN3 — CID 118192404

IUPAC4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole
SMILESFc1ccc(Cn2nc(Cl)c(Br)n2)cc1
InChIInChI=1S/C9H6BrClFN3/c10-8-9(11)14-15(13-8)5-6-1-3-7(12)4-2-6/h1-4H,5H2
InChIKeyYCCRAYZKHUXORE-UHFFFAOYSA-N
MW290.52 g/mol
LogP2.88
Rot. Bonds2

About 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole

4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole (PubChem CID 118192404) has the molecular formula C9H6BrClFN3 and a molecular weight of 290.52 g/mol. Its IUPAC name is 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole.

Molecular Properties

Compound Name4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole
PubChem CID118192404
Molecular FormulaC9H6BrClFN3
Molecular Weight290.52 g/mol
Exact Mass288.94
IUPAC Name4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole
SMILESFc1ccc(Cn2nc(Cl)c(Br)n2)cc1
InChIInChI=1S/C9H6BrClFN3/c10-8-9(11)14-15(13-8)5-6-1-3-7(12)4-2-6/h1-4H,5H2
InChIKeyYCCRAYZKHUXORE-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-5-chlorotriazol-2-yl)methyl]phenol
CID 141305587
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
4-bromo-3-chloro-6-[(4-fluorophenyl)methyl]pyridazine
CID 117106815
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 1463675
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
1-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,4-dichlorophenyl)thiourea
CID 19397433
5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
CID 166314309
1-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]propan-1-one
CID 174471128
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole?
The IUPAC name of 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole (CID 118192404) is 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole.
What is the SMILES notation for 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole?
The canonical SMILES for 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole is Fc1ccc(Cn2nc(Cl)c(Br)n2)cc1.
What is the InChIKey of 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole?
The InChIKey is YCCRAYZKHUXORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClFN3/c10-8-9(11)14-15(13-8)5-6-1-3-7(12)4-2-6/h1-4H,5H2.
What are the key properties of 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole?
4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole has a molecular weight of 290.52 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-2-[(4-fluorophenyl)methyl]triazole is sourced from PubChem (CID 118192404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).