2-bromo-3H-indene-5-carboxylic acid

C10H7BrO2 — CID 149393764

IUPAC2-bromo-3H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(Br)=C2
InChIInChI=1S/C10H7BrO2/c11-9-4-6-1-2-7(10(12)13)3-8(6)5-9/h1-4H,5H2,(H,12,13)
InChIKeyYOATZEMIRWAVRR-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.68
Rot. Bonds1

About 2-bromo-3H-indene-5-carboxylic acid

2-bromo-3H-indene-5-carboxylic acid (PubChem CID 149393764) has the molecular formula C10H7BrO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-bromo-3H-indene-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-3H-indene-5-carboxylic acid
PubChem CID149393764
Molecular FormulaC10H7BrO2
Molecular Weight239.07 g/mol
Exact Mass237.96
IUPAC Name2-bromo-3H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(Br)=C2
InChIInChI=1S/C10H7BrO2/c11-9-4-6-1-2-7(10(12)13)3-8(6)5-9/h1-4H,5H2,(H,12,13)
InChIKeyYOATZEMIRWAVRR-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-3H-indene-5-carboxylic 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 2-bromo-3H-indene-5-carboxylic acid?
The IUPAC name of 2-bromo-3H-indene-5-carboxylic acid (CID 149393764) is 2-bromo-3H-indene-5-carboxylic acid.
What is the SMILES notation for 2-bromo-3H-indene-5-carboxylic acid?
The canonical SMILES for 2-bromo-3H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)CC(Br)=C2.
What is the InChIKey of 2-bromo-3H-indene-5-carboxylic acid?
The InChIKey is YOATZEMIRWAVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2/c11-9-4-6-1-2-7(10(12)13)3-8(6)5-9/h1-4H,5H2,(H,12,13).
What are the key properties of 2-bromo-3H-indene-5-carboxylic acid?
2-bromo-3H-indene-5-carboxylic acid has a molecular weight of 239.07 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3H-indene-5-carboxylic acid is sourced from PubChem (CID 149393764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).