6-bromo-4-hydroxy-4aH-quinolin-2-one

C9H6BrNO2 — CID 71650441

IUPAC6-bromo-4-hydroxy-4aH-quinolin-2-one
SMILESO=C1C=C(O)C2C=C(Br)C=CC2=N1
InChIInChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4,6,12H
InChIKeyNVWQBFDTZLLYOG-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.87
Rot. Bonds

About 6-bromo-4-hydroxy-4aH-quinolin-2-one

6-bromo-4-hydroxy-4aH-quinolin-2-one (PubChem CID 71650441) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromo-4-hydroxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-hydroxy-4aH-quinolin-2-one
PubChem CID71650441
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name6-bromo-4-hydroxy-4aH-quinolin-2-one
SMILESO=C1C=C(O)C2C=C(Br)C=CC2=N1
InChIInChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4,6,12H
InChIKeyNVWQBFDTZLLYOG-UHFFFAOYSA-N
XLogP1.87
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-hydroxy-4aH-quinolin-2-one
CID 76212534
3-chloro-4-hydroxy-4aH-quinolin-2-one
CID 71302937
4-bromo-4aH-quinolin-2-one
CID 71303285
4-hydroxy-4aH-quinolin-2-one
CID 71303372
6-bromo-4-hydroxy-6H-quinolin-2-one
CID 71303930
6-bromo-4aH-quinolin-2-one
CID 71650442
2-Hydroxy-7-methylquinolin-4(4aH)-one
CID 72218615
7-bromo-4aH-quinolin-2-one
CID 72218687
4-hydroxy-3-methyl-4aH-quinolin-2-one
CID 72493337
8-hydroxy-4aH-quinolin-2-one
CID 73629614
4-hydroxy-5-methoxy-4aH-quinolin-2-one
CID 75679357
4-hydroxy-5,7-dimethyl-4aH-quinolin-2-one
CID 75837145

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-hydroxy-4aH-quinolin-2-one?
The IUPAC name of 6-bromo-4-hydroxy-4aH-quinolin-2-one (CID 71650441) is 6-bromo-4-hydroxy-4aH-quinolin-2-one.
What is the SMILES notation for 6-bromo-4-hydroxy-4aH-quinolin-2-one?
The canonical SMILES for 6-bromo-4-hydroxy-4aH-quinolin-2-one is O=C1C=C(O)C2C=C(Br)C=CC2=N1.
What is the InChIKey of 6-bromo-4-hydroxy-4aH-quinolin-2-one?
The InChIKey is NVWQBFDTZLLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4,6,12H.
What are the key properties of 6-bromo-4-hydroxy-4aH-quinolin-2-one?
6-bromo-4-hydroxy-4aH-quinolin-2-one has a molecular weight of 240.06 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-hydroxy-4aH-quinolin-2-one is sourced from PubChem (CID 71650441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).