3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid

C11H10BrFN4O2 — CID 66041430

IUPAC3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1-c1cc(F)ccc1Br
InChIInChI=1S/C11H10BrFN4O2/c1-6(4-10(18)19)17-11(14-15-16-17)8-5-7(13)2-3-9(8)12/h2-3,5-6H,4H2,1H3,(H,18,19)
InChIKeyFHZXIGRAJFGFNZ-UHFFFAOYSA-N
MW329.13 g/mol
LogP2.28
Rot. Bonds4

About 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid

3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid (PubChem CID 66041430) has the molecular formula C11H10BrFN4O2 and a molecular weight of 329.13 g/mol. Its IUPAC name is 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid
PubChem CID66041430
Molecular FormulaC11H10BrFN4O2
Molecular Weight329.13 g/mol
Exact Mass328.00
IUPAC Name3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid
SMILESCC(CC(=O)O)n1nnnc1-c1cc(F)ccc1Br
InChIInChI=1S/C11H10BrFN4O2/c1-6(4-10(18)19)17-11(14-15-16-17)8-5-7(13)2-3-9(8)12/h2-3,5-6H,4H2,1H3,(H,18,19)
InChIKeyFHZXIGRAJFGFNZ-UHFFFAOYSA-N
XLogP2.28
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.13
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid (CID 66041430) is 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid is CC(CC(=O)O)n1nnnc1-c1cc(F)ccc1Br.
What is the InChIKey of 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid?
The InChIKey is FHZXIGRAJFGFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O2/c1-6(4-10(18)19)17-11(14-15-16-17)8-5-7(13)2-3-9(8)12/h2-3,5-6H,4H2,1H3,(H,18,19).
What are the key properties of 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid?
3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid has a molecular weight of 329.13 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66041430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).