5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid

C10H7BrO4 — CID 3358971

IUPAC5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
SMILESCOc1cc(Br)cc2cc(C(=O)O)oc12
InChIInChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
InChIKeyOEICZFFUNDGUEF-UHFFFAOYSA-N
MW271.07 g/mol
LogP2.90
Rot. Bonds2

About 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid

5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid (PubChem CID 3358971) has the molecular formula C10H7BrO4 and a molecular weight of 271.07 g/mol. Its IUPAC name is 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
PubChem CID3358971
Molecular FormulaC10H7BrO4
Molecular Weight271.07 g/mol
Exact Mass269.95
IUPAC Name5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
SMILESCOc1cc(Br)cc2cc(C(=O)O)oc12
InChIInChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
InChIKeyOEICZFFUNDGUEF-UHFFFAOYSA-N
XLogP2.90
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid (CID 3358971) is 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid is COc1cc(Br)cc2cc(C(=O)O)oc12.
What is the InChIKey of 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid?
The InChIKey is OEICZFFUNDGUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13).
What are the key properties of 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid?
5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid has a molecular weight of 271.07 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 3358971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).