2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone

C10H10BrNO2 — CID 155747178

IUPAC2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESO=C(CBr)c1ccc2c(c1)CC(O)N2
InChIInChI=1S/C10H10BrNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3,10,12,14H,4-5H2
InChIKeyKLSRGWFESMFKOP-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.55
Rot. Bonds2

About 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone

2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 155747178) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID155747178
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESO=C(CBr)c1ccc2c(c1)CC(O)N2
InChIInChI=1S/C10H10BrNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3,10,12,14H,4-5H2
InChIKeyKLSRGWFESMFKOP-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxy-1,2,3,4-tetrahydroquinolin-6-yl)-2-methylsulfanylethanone
CID 163588791
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82032484
5-(2-chloroacetyl)-2,3-dihydro-1H-indole-2-carbaldehyde
CID 175124187
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
2-bromo-1-(6-methylnaphthalen-2-yl)ethanone
CID 12698900
5-butyl-2,3-dihydro-1H-indol-2-ol
CID 141157926
2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
CID 82256396
(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 70487224
2-bromo-1-(4-hydroxy-3-methylphenyl)ethanone
CID 11218449
2-bromo-1-(6-methylsulfanylnaphthalen-2-yl)ethanone
CID 54038986
5-(2-bromoacetyl)-3,3-dimethyl-1H-indol-2-one
CID 10684264
2-bromo-1-(4-cyclopentylsulfanylphenyl)ethanone
CID 82490225

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone (CID 155747178) is 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone is O=C(CBr)c1ccc2c(c1)CC(O)N2.
What is the InChIKey of 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is KLSRGWFESMFKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3,10,12,14H,4-5H2.
What are the key properties of 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone?
2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 256.10 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-hydroxy-2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 155747178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).