5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid

C11H12BrNO3 — CID 118867479

IUPAC5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2c1ccc(Br)c2CCO
InChIInChI=1S/C11H12BrNO3/c12-9-1-2-10-8(7(9)4-6-14)3-5-13(10)11(15)16/h1-2,14H,3-6H2,(H,15,16)
InChIKeyGGALTQSBMGNWIF-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.02
Rot. Bonds2

About 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid

5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid (PubChem CID 118867479) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid
PubChem CID118867479
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2c1ccc(Br)c2CCO
InChIInChI=1S/C11H12BrNO3/c12-9-1-2-10-8(7(9)4-6-14)3-5-13(10)11(15)16/h1-2,14H,3-6H2,(H,15,16)
InChIKeyGGALTQSBMGNWIF-UHFFFAOYSA-N
XLogP2.02
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid (CID 118867479) is 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid is O=C(O)N1CCc2c1ccc(Br)c2CCO.
What is the InChIKey of 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is GGALTQSBMGNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c12-9-1-2-10-8(7(9)4-6-14)3-5-13(10)11(15)16/h1-2,14H,3-6H2,(H,15,16).
What are the key properties of 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid?
5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 286.12 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 118867479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).