3,6-dibromo-4-hydroxy-1H-quinolin-2-one

C9H5Br2NO2 — CID 127255574

IUPAC3,6-dibromo-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(O)c1Br
InChIInChI=1S/C9H5Br2NO2/c10-4-1-2-6-5(3-4)8(13)7(11)9(14)12-6/h1-3H,(H2,12,13,14)
InChIKeyNWYARMUOTZSXIN-UHFFFAOYSA-N
MW318.95 g/mol
LogP2.76
Rot. Bonds

About 3,6-dibromo-4-hydroxy-1H-quinolin-2-one

3,6-dibromo-4-hydroxy-1H-quinolin-2-one (PubChem CID 127255574) has the molecular formula C9H5Br2NO2 and a molecular weight of 318.95 g/mol. Its IUPAC name is 3,6-dibromo-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3,6-dibromo-4-hydroxy-1H-quinolin-2-one
PubChem CID127255574
Molecular FormulaC9H5Br2NO2
Molecular Weight318.95 g/mol
Exact Mass316.87
IUPAC Name3,6-dibromo-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(O)c1Br
InChIInChI=1S/C9H5Br2NO2/c10-4-1-2-6-5(3-4)8(13)7(11)9(14)12-6/h1-3H,(H2,12,13,14)
InChIKeyNWYARMUOTZSXIN-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 3,6-dibromo-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3,6-dibromo-4-hydroxy-1H-quinolin-2-one (CID 127255574) is 3,6-dibromo-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3,6-dibromo-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3,6-dibromo-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2ccc(Br)cc2c(O)c1Br.
What is the InChIKey of 3,6-dibromo-4-hydroxy-1H-quinolin-2-one?
The InChIKey is NWYARMUOTZSXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO2/c10-4-1-2-6-5(3-4)8(13)7(11)9(14)12-6/h1-3H,(H2,12,13,14).
What are the key properties of 3,6-dibromo-4-hydroxy-1H-quinolin-2-one?
3,6-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 3,6-dibromo-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 127255574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).