6,7-dibromo-4-hydroxy-1H-quinolin-2-one

C9H5Br2NO2 — CID 54697227

IUPAC6,7-dibromo-4-hydroxy-1H-quinolin-2-one
SMILESO=c1cc(O)c2cc(Br)c(Br)cc2[nH]1
InChIInChI=1S/C9H5Br2NO2/c10-5-1-4-7(2-6(5)11)12-9(14)3-8(4)13/h1-3H,(H2,12,13,14)
InChIKeyDWKKKSBOIGANNF-UHFFFAOYSA-N
MW318.95 g/mol
LogP2.76
Rot. Bonds

About 6,7-dibromo-4-hydroxy-1H-quinolin-2-one

6,7-dibromo-4-hydroxy-1H-quinolin-2-one (PubChem CID 54697227) has the molecular formula C9H5Br2NO2 and a molecular weight of 318.95 g/mol. Its IUPAC name is 6,7-dibromo-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dibromo-4-hydroxy-1H-quinolin-2-one
PubChem CID54697227
Molecular FormulaC9H5Br2NO2
Molecular Weight318.95 g/mol
Exact Mass316.87
IUPAC Name6,7-dibromo-4-hydroxy-1H-quinolin-2-one
SMILESO=c1cc(O)c2cc(Br)c(Br)cc2[nH]1
InChIInChI=1S/C9H5Br2NO2/c10-5-1-4-7(2-6(5)11)12-9(14)3-8(4)13/h1-3H,(H2,12,13,14)
InChIKeyDWKKKSBOIGANNF-UHFFFAOYSA-N
XLogP2.76
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.95
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 6,7-dibromo-4-hydroxy-1H-quinolin-2-one (CID 54697227) is 6,7-dibromo-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dibromo-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 6,7-dibromo-4-hydroxy-1H-quinolin-2-one is O=c1cc(O)c2cc(Br)c(Br)cc2[nH]1.
What is the InChIKey of 6,7-dibromo-4-hydroxy-1H-quinolin-2-one?
The InChIKey is DWKKKSBOIGANNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO2/c10-5-1-4-7(2-6(5)11)12-9(14)3-8(4)13/h1-3H,(H2,12,13,14).
What are the key properties of 6,7-dibromo-4-hydroxy-1H-quinolin-2-one?
6,7-dibromo-4-hydroxy-1H-quinolin-2-one has a molecular weight of 318.95 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54697227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).