2-bromo-6-fluoro-4-iodobenzoic acid

C7H3BrFIO2 — CID 74892438

IUPAC2-bromo-6-fluoro-4-iodobenzoic acid
SMILESO=C(O)c1c(F)cc(I)cc1Br
InChIInChI=1S/C7H3BrFIO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,(H,11,12)
InChIKeyBYGGHZKVKAAUSF-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.89
Rot. Bonds1

About 2-bromo-6-fluoro-4-iodobenzoic acid

2-bromo-6-fluoro-4-iodobenzoic acid (PubChem CID 74892438) has the molecular formula C7H3BrFIO2 and a molecular weight of 344.91 g/mol. Its IUPAC name is 2-bromo-6-fluoro-4-iodobenzoic acid.

Molecular Properties

Compound Name2-bromo-6-fluoro-4-iodobenzoic acid
PubChem CID74892438
Molecular FormulaC7H3BrFIO2
Molecular Weight344.91 g/mol
Exact Mass343.83
IUPAC Name2-bromo-6-fluoro-4-iodobenzoic acid
SMILESO=C(O)c1c(F)cc(I)cc1Br
InChIInChI=1S/C7H3BrFIO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,(H,11,12)
InChIKeyBYGGHZKVKAAUSF-UHFFFAOYSA-N
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-bromo-6-fluoro-4-iodobenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
2-bromo-4-tert-butyl-6-fluorobenzoic acid
CID 122603855
4-bromo-2,3,6-trifluorobenzoic acid
CID 59889044
1-(2,6-dibromo-4-iodophenyl)ethanone
CID 171001824
2-bromo-1-(2,6-difluoro-4-iodophenyl)ethanone
CID 131349738
2,6-dibromo-3,5-difluorobenzoic acid
CID 119014383
2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone
CID 50998410
methyl 2-fluoro-4,6-diiodobenzoate
CID 130766583
2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
CID 54312938
4-bromo-2-fluoronaphthalene-1-carboxylic acid
CID 170334354
4-amino-2-bromo-6-iodobenzoic acid
CID 166642106

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-4-iodobenzoic acid?
The IUPAC name of 2-bromo-6-fluoro-4-iodobenzoic acid (CID 74892438) is 2-bromo-6-fluoro-4-iodobenzoic acid.
What is the SMILES notation for 2-bromo-6-fluoro-4-iodobenzoic acid?
The canonical SMILES for 2-bromo-6-fluoro-4-iodobenzoic acid is O=C(O)c1c(F)cc(I)cc1Br.
What is the InChIKey of 2-bromo-6-fluoro-4-iodobenzoic acid?
The InChIKey is BYGGHZKVKAAUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFIO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,(H,11,12).
What are the key properties of 2-bromo-6-fluoro-4-iodobenzoic acid?
2-bromo-6-fluoro-4-iodobenzoic acid has a molecular weight of 344.91 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-4-iodobenzoic acid is sourced from PubChem (CID 74892438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).