6-bromo-8-fluoro-8H-quinolin-2-one

C9H5BrFNO — CID 76769440

IUPAC6-bromo-8-fluoro-8H-quinolin-2-one
SMILESO=C1C=CC2=CC(Br)=CC(F)C2=N1
InChIInChI=1S/C9H5BrFNO/c10-6-3-5-1-2-8(13)12-9(5)7(11)4-6/h1-4,7H
InChIKeyYXHGCOWNHLKIEO-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.08
Rot. Bonds

About 6-bromo-8-fluoro-8H-quinolin-2-one

6-bromo-8-fluoro-8H-quinolin-2-one (PubChem CID 76769440) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 6-bromo-8-fluoro-8H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-8-fluoro-8H-quinolin-2-one
PubChem CID76769440
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name6-bromo-8-fluoro-8H-quinolin-2-one
SMILESO=C1C=CC2=CC(Br)=CC(F)C2=N1
InChIInChI=1S/C9H5BrFNO/c10-6-3-5-1-2-8(13)12-9(5)7(11)4-6/h1-4,7H
InChIKeyYXHGCOWNHLKIEO-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-(Trifluoromethyl)-1-benzazepin-2-one
CID 19838419
6-Bromo-4-fluoroindol-2-one
CID 73012899
3-Fluoro-1-benzazepin-2-one
CID 87395462
5-Bromo-3-fluoroindol-2-one
CID 150543417
6-Bromo-5-fluoroindol-2-one
CID 156640203
4,5-Difluoro-3-methylidenequinolin-2-one
CID 174791263
5-Bromo-6-fluoroindol-2-one
CID 177310623
6-fluoro-6H-quinolin-2-one
CID 71303965
8-fluoro-4aH-quinolin-2-one
CID 71304098
4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one
CID 71650394

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-8H-quinolin-2-one?
The IUPAC name of 6-bromo-8-fluoro-8H-quinolin-2-one (CID 76769440) is 6-bromo-8-fluoro-8H-quinolin-2-one.
What is the SMILES notation for 6-bromo-8-fluoro-8H-quinolin-2-one?
The canonical SMILES for 6-bromo-8-fluoro-8H-quinolin-2-one is O=C1C=CC2=CC(Br)=CC(F)C2=N1.
What is the InChIKey of 6-bromo-8-fluoro-8H-quinolin-2-one?
The InChIKey is YXHGCOWNHLKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-6-3-5-1-2-8(13)12-9(5)7(11)4-6/h1-4,7H.
What are the key properties of 6-bromo-8-fluoro-8H-quinolin-2-one?
6-bromo-8-fluoro-8H-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 6-bromo-8-fluoro-8H-quinolin-2-one is sourced from PubChem (CID 76769440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).