3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole

C14H9BrFN3 — CID 115393323

IUPAC3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
SMILESFc1ccc(Br)cc1-c1nncn1-c1ccccc1
InChIInChI=1S/C14H9BrFN3/c15-10-6-7-13(16)12(8-10)14-18-17-9-19(14)11-4-2-1-3-5-11/h1-9H
InChIKeyPNQSWNPUVOBEPL-UHFFFAOYSA-N
MW318.15 g/mol
LogP3.84
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole

3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole (PubChem CID 115393323) has the molecular formula C14H9BrFN3 and a molecular weight of 318.15 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
PubChem CID115393323
Molecular FormulaC14H9BrFN3
Molecular Weight318.15 g/mol
Exact Mass317.00
IUPAC Name3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
SMILESFc1ccc(Br)cc1-c1nncn1-c1ccccc1
InChIInChI=1S/C14H9BrFN3/c15-10-6-7-13(16)12(8-10)14-18-17-9-19(14)11-4-2-1-3-5-11/h1-9H
InChIKeyPNQSWNPUVOBEPL-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449
3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
4-bromo-3-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115297043
5-chloro-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 62710247
3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115393385
3-(4,5-dibromothiophen-2-yl)-4-phenyl-1,2,4-triazole
CID 113300923
4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393321
(Z)-1-(4-bromo-2-fluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028276
4-methoxy-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115412400
1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 62709739
3-[(3-bromophenyl)methyl]-4-phenyl-1,2,4-triazole
CID 115393272
2-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393314

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole (CID 115393323) is 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole is Fc1ccc(Br)cc1-c1nncn1-c1ccccc1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole?
The InChIKey is PNQSWNPUVOBEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3/c15-10-6-7-13(16)12(8-10)14-18-17-9-19(14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole?
3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole has a molecular weight of 318.15 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).