4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole

C11H10BrClFN3 — CID 107639687

IUPAC4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(Cl)n1-c1cc(F)ccc1Br
InChIInChI=1S/C11H10BrClFN3/c1-6(2)10-15-16-11(13)17(10)9-5-7(14)3-4-8(9)12/h3-6H,1-2H3
InChIKeyJULBDCRVGYTDMS-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.95
Rot. Bonds2

About 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole

4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole (PubChem CID 107639687) has the molecular formula C11H10BrClFN3 and a molecular weight of 318.58 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole
PubChem CID107639687
Molecular FormulaC11H10BrClFN3
Molecular Weight318.58 g/mol
Exact Mass316.97
IUPAC Name4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(Cl)n1-c1cc(F)ccc1Br
InChIInChI=1S/C11H10BrClFN3/c1-6(2)10-15-16-11(13)17(10)9-5-7(14)3-4-8(9)12/h3-6H,1-2H3
InChIKeyJULBDCRVGYTDMS-UHFFFAOYSA-N
XLogP3.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(4-chloro-2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole
CID 63389450
3-chloro-4-(2-fluoro-4-methylphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63384351
3-chloro-5-propan-2-yl-4-(2,3,4-trifluorophenyl)-1,2,4-triazole
CID 63383710
3-chloro-5-propan-2-yl-4-(2,3,5,6-tetrafluorophenyl)-1,2,4-triazole
CID 107646085
1-(2-bromo-5-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107638114
3-chloro-4-(2-chloro-4,6-difluorophenyl)-5-propan-2-yl-1,2,4-triazole
CID 83088449
3-bromo-8-(3-chloro-5-propan-2-yl-1,2,4-triazol-4-yl)quinoline
CID 116785577
3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole
CID 65499865
3-chloro-4-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazole
CID 63384844
3-chloro-5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 63383536
1-[1-(2-bromo-5-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-chloropropan-1-one
CID 107629390
1-(2-bromo-5-fluorophenyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 107626220

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole (CID 107639687) is 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(Cl)n1-c1cc(F)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole?
The InChIKey is JULBDCRVGYTDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClFN3/c1-6(2)10-15-16-11(13)17(10)9-5-7(14)3-4-8(9)12/h3-6H,1-2H3.
What are the key properties of 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole?
4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole has a molecular weight of 318.58 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluorophenyl)-3-chloro-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 107639687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).