2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid

C10H8BrNO4 — CID 91444435

IUPAC2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2ccc(Br)cc2C1O
InChIInChI=1S/C10H8BrNO4/c11-5-1-2-6-7(3-5)10(16)12(9(6)15)4-8(13)14/h1-3,10,16H,4H2,(H,13,14)
InChIKeyWBYXTSOQPACPHA-UHFFFAOYSA-N
MW286.08 g/mol
LogP0.98
Rot. Bonds2

About 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid

2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid (PubChem CID 91444435) has the molecular formula C10H8BrNO4 and a molecular weight of 286.08 g/mol. Its IUPAC name is 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid
PubChem CID91444435
Molecular FormulaC10H8BrNO4
Molecular Weight286.08 g/mol
Exact Mass284.96
IUPAC Name2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2ccc(Br)cc2C1O
InChIInChI=1S/C10H8BrNO4/c11-5-1-2-6-7(3-5)10(16)12(9(6)15)4-8(13)14/h1-3,10,16H,4H2,(H,13,14)
InChIKeyWBYXTSOQPACPHA-UHFFFAOYSA-N
XLogP0.98
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25100366
2-(1-cyano-6-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
CID 110448015
tert-butyl 1-benzyl-6-bromo-3-oxo-1H-isoindole-2-carboxylate
CID 131964031
2-[(1S)-5-bromo-1-methyl-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 125486013
3-(5-bromo-1,3-dioxoisoindol-2-yl)-2-hydroxy-2-methylpropanoic acid
CID 66171633
5-chloro-3-hydroxy-2-(2-methylpropyl)-3H-isoindol-1-one
CID 22025424
3-hydroxy-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
CID 143664494
2-(4-bromo-8-oxo-9-azatricyclo[8.1.1.02,7]dodeca-2(7),3,5-trien-9-yl)-N-(5-chloropyrimidin-2-yl)acetamide
CID 172622848
2-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]acetic acid
CID 99963175
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid
CID 2406906
(3S)-5-bromo-3-hydroxy-2,3-dihydroisoindol-1-one
CID 86314575

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid?
The IUPAC name of 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid (CID 91444435) is 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid is O=C(O)CN1C(=O)c2ccc(Br)cc2C1O.
What is the InChIKey of 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid?
The InChIKey is WBYXTSOQPACPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO4/c11-5-1-2-6-7(3-5)10(16)12(9(6)15)4-8(13)14/h1-3,10,16H,4H2,(H,13,14).
What are the key properties of 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid?
2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid has a molecular weight of 286.08 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid is sourced from PubChem (CID 91444435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).