7-bromo-1-(2-hydroxyethyl)indole-2,3-dione

C10H8BrNO3 — CID 61357109

IUPAC7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCO)c2c(Br)cccc21
InChIInChI=1S/C10H8BrNO3/c11-7-3-1-2-6-8(7)12(4-5-13)10(15)9(6)14/h1-3,13H,4-5H2
InChIKeyZVGBROHGNBXBET-UHFFFAOYSA-N
MW270.08 g/mol
LogP0.97
Rot. Bonds2

About 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione

7-bromo-1-(2-hydroxyethyl)indole-2,3-dione (PubChem CID 61357109) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
PubChem CID61357109
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCO)c2c(Br)cccc21
InChIInChI=1S/C10H8BrNO3/c11-7-3-1-2-6-8(7)12(4-5-13)10(15)9(6)14/h1-3,13H,4-5H2
InChIKeyZVGBROHGNBXBET-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920
7-bromo-1-(2,3-dihydroxypropyl)indole-2,3-dione
CID 82850176
7-bromo-1-pentylindole-2,3-dione
CID 61356330
7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61387766
7-bromo-1-(2-methoxyethyl)indole-2,3-dione
CID 60726633
7-bromo-1-pent-3-ynylindole-2,3-dione
CID 104808154
7-bromo-1-(2-methylidenebutyl)indole-2,3-dione
CID 66046443
methyl 2-(7-bromo-2,3-dioxoindol-1-yl)acetate
CID 61355610
7-bromo-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
CID 79569313
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione
CID 62024759
7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 60711537

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione?
The IUPAC name of 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione (CID 61357109) is 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione?
The canonical SMILES for 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione is O=C1C(=O)N(CCO)c2c(Br)cccc21.
What is the InChIKey of 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione?
The InChIKey is ZVGBROHGNBXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-7-3-1-2-6-8(7)12(4-5-13)10(15)9(6)14/h1-3,13H,4-5H2.
What are the key properties of 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione?
7-bromo-1-(2-hydroxyethyl)indole-2,3-dione has a molecular weight of 270.08 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2-hydroxyethyl)indole-2,3-dione is sourced from PubChem (CID 61357109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).