8-bromo-3-fluoro-8H-quinolin-2-one

C9H5BrFNO — CID 85436256

IUPAC8-bromo-3-fluoro-8H-quinolin-2-one
SMILESO=C1N=C2C(=CC=CC2Br)C=C1F
InChIInChI=1S/C9H5BrFNO/c10-6-3-1-2-5-4-7(11)9(13)12-8(5)6/h1-4,6H
InChIKeyPJZHRADKCIEXTO-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.08
Rot. Bonds

About 8-bromo-3-fluoro-8H-quinolin-2-one

8-bromo-3-fluoro-8H-quinolin-2-one (PubChem CID 85436256) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 8-bromo-3-fluoro-8H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-3-fluoro-8H-quinolin-2-one
PubChem CID85436256
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name8-bromo-3-fluoro-8H-quinolin-2-one
SMILESO=C1N=C2C(=CC=CC2Br)C=C1F
InChIInChI=1S/C9H5BrFNO/c10-6-3-1-2-5-4-7(11)9(13)12-8(5)6/h1-4,6H
InChIKeyPJZHRADKCIEXTO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-3-fluoroindol-2-one
CID 150543417
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
6-bromo-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73880018
4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
CID 74834377
7-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 76453614
6-bromo-8-fluoro-8H-quinolin-2-one
CID 76769440
6-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 77620930
6-Methylidene-4-(trifluoromethyl)quinolin-2-one
CID 78177323
8-Bromo-7-fluoroquinolin-2(3H)-one
CID 91844756

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-fluoro-8H-quinolin-2-one?
The IUPAC name of 8-bromo-3-fluoro-8H-quinolin-2-one (CID 85436256) is 8-bromo-3-fluoro-8H-quinolin-2-one.
What is the SMILES notation for 8-bromo-3-fluoro-8H-quinolin-2-one?
The canonical SMILES for 8-bromo-3-fluoro-8H-quinolin-2-one is O=C1N=C2C(=CC=CC2Br)C=C1F.
What is the InChIKey of 8-bromo-3-fluoro-8H-quinolin-2-one?
The InChIKey is PJZHRADKCIEXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-6-3-1-2-5-4-7(11)9(13)12-8(5)6/h1-4,6H.
What are the key properties of 8-bromo-3-fluoro-8H-quinolin-2-one?
8-bromo-3-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 8-bromo-3-fluoro-8H-quinolin-2-one is sourced from PubChem (CID 85436256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).