4-bromo-7-methyl-1-benzofuran-2-carboxylic acid

C10H7BrO3 — CID 84729253

IUPAC4-bromo-7-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1ccc(Br)c2cc(C(=O)O)oc12
InChIInChI=1S/C10H7BrO3/c1-5-2-3-7(11)6-4-8(10(12)13)14-9(5)6/h2-4H,1H3,(H,12,13)
InChIKeyFRNNBLHYNROLIC-UHFFFAOYSA-N
MW255.07 g/mol
LogP3.20
Rot. Bonds1

About 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid

4-bromo-7-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 84729253) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-7-methyl-1-benzofuran-2-carboxylic acid
PubChem CID84729253
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name4-bromo-7-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1ccc(Br)c2cc(C(=O)O)oc12
InChIInChI=1S/C10H7BrO3/c1-5-2-3-7(11)6-4-8(10(12)13)14-9(5)6/h2-4H,1H3,(H,12,13)
InChIKeyFRNNBLHYNROLIC-UHFFFAOYSA-N
XLogP3.20
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid (CID 84729253) is 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid is Cc1ccc(Br)c2cc(C(=O)O)oc12.
What is the InChIKey of 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is FRNNBLHYNROLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c1-5-2-3-7(11)6-4-8(10(12)13)14-9(5)6/h2-4H,1H3,(H,12,13).
What are the key properties of 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid?
4-bromo-7-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 84729253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).