4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid

C9H8BrNO3 — CID 174655136

IUPAC4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(Br)cccc2N1O
InChIInChI=1S/C9H8BrNO3/c10-6-2-1-3-7-5(6)4-8(9(12)13)11(7)14/h1-3,8,14H,4H2,(H,12,13)
InChIKeyDQMRFWDDQZLGNT-UHFFFAOYSA-N
MW258.07 g/mol
LogP1.65
Rot. Bonds1

About 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid

4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174655136) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
PubChem CID174655136
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Name4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(Br)cccc2N1O
InChIInChI=1S/C9H8BrNO3/c10-6-2-1-3-7-5(6)4-8(9(12)13)11(7)14/h1-3,8,14H,4H2,(H,12,13)
InChIKeyDQMRFWDDQZLGNT-UHFFFAOYSA-N
XLogP1.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxylic acid
CID 114081164
3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
8-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84641705
3-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117198876
5-bromo-2-(2-methylsulfinylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 138004153
(1R,1aR,6aS)-5-bromo-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 125449039
2-bromo-6-(4-tert-butylpiperidin-1-yl)benzoic acid
CID 114888088
6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
CID 174666733
3-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanoic acid
CID 156507049
2-amino-2-(2-bromo-6-pyrrolidin-1-ylphenyl)acetic acid
CID 117115126
1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198613
3-(2-bromo-6-pyrrolidin-1-ylphenyl)propanoic acid
CID 117114900

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (CID 174655136) is 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2c(Br)cccc2N1O.
What is the InChIKey of 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is DQMRFWDDQZLGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c10-6-2-1-3-7-5(6)4-8(9(12)13)11(7)14/h1-3,8,14H,4H2,(H,12,13).
What are the key properties of 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 258.07 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174655136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).