2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid

C11H10BrNO3 — CID 115071837

IUPAC2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
SMILESCn1c(C(O)C(=O)O)cc2c(Br)cccc21
InChIInChI=1S/C11H10BrNO3/c1-13-8-4-2-3-7(12)6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16)
InChIKeyMRUXTGFLMKZDFI-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.06
Rot. Bonds2

About 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid

2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid (PubChem CID 115071837) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
PubChem CID115071837
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
SMILESCn1c(C(O)C(=O)O)cc2c(Br)cccc21
InChIInChI=1S/C11H10BrNO3/c1-13-8-4-2-3-7(12)6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16)
InChIKeyMRUXTGFLMKZDFI-UHFFFAOYSA-N
XLogP2.06
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid (CID 115071837) is 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid is Cn1c(C(O)C(=O)O)cc2c(Br)cccc21.
What is the InChIKey of 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid?
The InChIKey is MRUXTGFLMKZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-13-8-4-2-3-7(12)6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16).
What are the key properties of 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid?
2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid has a molecular weight of 284.11 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115071837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).