2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid

C11H9BrFNO2 — CID 4714955

IUPAC2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid
SMILESCc1[nH]c2c(F)cc(Br)cc2c1CC(=O)O
InChIInChI=1S/C11H9BrFNO2/c1-5-7(4-10(15)16)8-2-6(12)3-9(13)11(8)14-5/h2-3,14H,4H2,1H3,(H,15,16)
InChIKeyUXKQFTKBOIMTCE-UHFFFAOYSA-N
MW286.10 g/mol
LogP3.01
Rot. Bonds2

About 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid

2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid (PubChem CID 4714955) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid
PubChem CID4714955
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid
SMILESCc1[nH]c2c(F)cc(Br)cc2c1CC(=O)O
InChIInChI=1S/C11H9BrFNO2/c1-5-7(4-10(15)16)8-2-6(12)3-9(13)11(8)14-5/h2-3,14H,4H2,1H3,(H,15,16)
InChIKeyUXKQFTKBOIMTCE-UHFFFAOYSA-N
XLogP3.01
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic 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-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid (CID 4714955) is 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid is Cc1[nH]c2c(F)cc(Br)cc2c1CC(=O)O.
What is the InChIKey of 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid?
The InChIKey is UXKQFTKBOIMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c1-5-7(4-10(15)16)8-2-6(12)3-9(13)11(8)14-5/h2-3,14H,4H2,1H3,(H,15,16).
What are the key properties of 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid?
2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid has a molecular weight of 286.10 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 4714955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).