4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one

C8H5Br2NO2 — CID 61470172

IUPAC4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(Br)ccc(Br)c2C1O
InChIInChI=1S/C8H5Br2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)
InChIKeyRPTWCVQIKZYBPR-UHFFFAOYSA-N
MW306.94 g/mol
LogP2.20
Rot. Bonds

About 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one

4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 61470172) has the molecular formula C8H5Br2NO2 and a molecular weight of 306.94 g/mol. Its IUPAC name is 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID61470172
Molecular FormulaC8H5Br2NO2
Molecular Weight306.94 g/mol
Exact Mass304.87
IUPAC Name4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(Br)ccc(Br)c2C1O
InChIInChI=1S/C8H5Br2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13)
InChIKeyRPTWCVQIKZYBPR-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.94
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one (CID 61470172) is 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2c(Br)ccc(Br)c2C1O.
What is the InChIKey of 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is RPTWCVQIKZYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2,7,12H,(H,11,13).
What are the key properties of 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one?
4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 306.94 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 61470172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).