2-(6-bromo-1H-indol-2-yl)propanoic acid

C11H10BrNO2 — CID 115004482

IUPAC2-(6-bromo-1H-indol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H10BrNO2/c1-6(11(14)15)9-4-7-2-3-8(12)5-10(7)13-9/h2-6,13H,1H3,(H,14,15)
InChIKeyRUXUZOYMUNWIJF-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.12
Rot. Bonds2

About 2-(6-bromo-1H-indol-2-yl)propanoic acid

2-(6-bromo-1H-indol-2-yl)propanoic acid (PubChem CID 115004482) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-2-yl)propanoic acid
PubChem CID115004482
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-(6-bromo-1H-indol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C11H10BrNO2/c1-6(11(14)15)9-4-7-2-3-8(12)5-10(7)13-9/h2-6,13H,1H3,(H,14,15)
InChIKeyRUXUZOYMUNWIJF-UHFFFAOYSA-N
XLogP3.12
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-(6-bromo-1H-indol-2-yl)propanoic acid (CID 115004482) is 2-(6-bromo-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-bromo-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-(6-bromo-1H-indol-2-yl)propanoic acid is CC(C(=O)O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 2-(6-bromo-1H-indol-2-yl)propanoic acid?
The InChIKey is RUXUZOYMUNWIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6(11(14)15)9-4-7-2-3-8(12)5-10(7)13-9/h2-6,13H,1H3,(H,14,15).
What are the key properties of 2-(6-bromo-1H-indol-2-yl)propanoic acid?
2-(6-bromo-1H-indol-2-yl)propanoic acid has a molecular weight of 268.11 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 115004482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).