4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid

C9H4BrFO3 — CID 83679343

IUPAC4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(Br)c(F)ccc2o1
InChIInChI=1S/C9H4BrFO3/c10-8-4-3-7(9(12)13)14-6(4)2-1-5(8)11/h1-3H,(H,12,13)
InChIKeyJADPDVFWJMLOOW-UHFFFAOYSA-N
MW259.03 g/mol
LogP3.03
Rot. Bonds1

About 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid

4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid (PubChem CID 83679343) has the molecular formula C9H4BrFO3 and a molecular weight of 259.03 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid
PubChem CID83679343
Molecular FormulaC9H4BrFO3
Molecular Weight259.03 g/mol
Exact Mass257.93
IUPAC Name4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(Br)c(F)ccc2o1
InChIInChI=1S/C9H4BrFO3/c10-8-4-3-7(9(12)13)14-6(4)2-1-5(8)11/h1-3H,(H,12,13)
InChIKeyJADPDVFWJMLOOW-UHFFFAOYSA-N
XLogP3.03
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.03
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
CID 131521886
4-amino-5-fluoro-1-benzofuran-2-carboxylic acid
CID 82373023
5,8-difluoro-1-oxoisochromene-3-carboxylic acid
CID 114517457
1-(4,5-difluoro-1-benzofuran-2-yl)ethanone
CID 83410460
4-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 130064961
5-(aminomethyl)-4-hydroxy-1-benzofuran-2-carboxylic acid
CID 83820165
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
6,7-difluoro-4-oxochromene-2-carboxylic acid
CID 11974463
7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid
CID 121414290
3-bromo-2-methyl-1-benzofuran-5-carboxylic acid
CID 69362044
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
6-(2-carboxy-4-oxochromene-6-carbonyl)-4-oxochromene-2-carboxylic acid
CID 154092450

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid (CID 83679343) is 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2c(Br)c(F)ccc2o1.
What is the InChIKey of 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid?
The InChIKey is JADPDVFWJMLOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFO3/c10-8-4-3-7(9(12)13)14-6(4)2-1-5(8)11/h1-3H,(H,12,13).
What are the key properties of 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid?
4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid has a molecular weight of 259.03 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 83679343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).