4-bromo-6-fluoro-6H-quinolin-2-one

C9H5BrFNO — CID 178188753

IUPAC4-bromo-6-fluoro-6H-quinolin-2-one
SMILESO=C1C=C(Br)C2=CC(F)C=CC2=N1
InChIInChI=1S/C9H5BrFNO/c10-7-4-9(13)12-8-2-1-5(11)3-6(7)8/h1-5H
InChIKeyZOMUFLFYWJNUDC-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.08
Rot. Bonds

About 4-bromo-6-fluoro-6H-quinolin-2-one

4-bromo-6-fluoro-6H-quinolin-2-one (PubChem CID 178188753) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 4-bromo-6-fluoro-6H-quinolin-2-one.

Molecular Properties

Compound Name4-bromo-6-fluoro-6H-quinolin-2-one
PubChem CID178188753
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name4-bromo-6-fluoro-6H-quinolin-2-one
SMILESO=C1C=C(Br)C2=CC(F)C=CC2=N1
InChIInChI=1S/C9H5BrFNO/c10-7-4-9(13)12-8-2-1-5(11)3-6(7)8/h1-5H
InChIKeyZOMUFLFYWJNUDC-UHFFFAOYSA-N
XLogP2.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromoindole-2-one
CID 22038270
5-Bromoindol-2-one
CID 46739842
6-Bromo-4-fluoroindol-2-one
CID 73012899
5-Bromo-3-fluoroindol-2-one
CID 150543417
4-Bromo-3,5-difluoroindol-2-one
CID 150934837
6-Bromo-5-fluoroindol-2-one
CID 156640203
3-Bromo-4,6-difluoroindol-2-one
CID 174871745
5-Bromo-6-fluoroindol-2-one
CID 177310623
6-fluoro-6H-quinolin-2-one
CID 71303965
4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one
CID 71650394
8-fluoro-8H-quinolin-2-one
CID 71650474
8-bromo-7-fluoro-4aH-quinolin-2-one
CID 72540584

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-6H-quinolin-2-one?
The IUPAC name of 4-bromo-6-fluoro-6H-quinolin-2-one (CID 178188753) is 4-bromo-6-fluoro-6H-quinolin-2-one.
What is the SMILES notation for 4-bromo-6-fluoro-6H-quinolin-2-one?
The canonical SMILES for 4-bromo-6-fluoro-6H-quinolin-2-one is O=C1C=C(Br)C2=CC(F)C=CC2=N1.
What is the InChIKey of 4-bromo-6-fluoro-6H-quinolin-2-one?
The InChIKey is ZOMUFLFYWJNUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-7-4-9(13)12-8-2-1-5(11)3-6(7)8/h1-5H.
What are the key properties of 4-bromo-6-fluoro-6H-quinolin-2-one?
4-bromo-6-fluoro-6H-quinolin-2-one has a molecular weight of 242.05 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-6H-quinolin-2-one is sourced from PubChem (CID 178188753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).