5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one

C9H7BrFNO — CID 130876453

IUPAC5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2c1ccc(F)c2Br
InChIInChI=1S/C9H7BrFNO/c10-8-5-3-4-12-9(13)6(5)1-2-7(8)11/h1-2H,3-4H2,(H,12,13)
InChIKeyQUKMUSBEHCAGOR-UHFFFAOYSA-N
MW244.06 g/mol
LogP1.87
Rot. Bonds

About 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one

5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 130876453) has the molecular formula C9H7BrFNO and a molecular weight of 244.06 g/mol. Its IUPAC name is 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID130876453
Molecular FormulaC9H7BrFNO
Molecular Weight244.06 g/mol
Exact Mass242.97
IUPAC Name5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2c1ccc(F)c2Br
InChIInChI=1S/C9H7BrFNO/c10-8-5-3-4-12-9(13)6(5)1-2-7(8)11/h1-2H,3-4H2,(H,12,13)
InChIKeyQUKMUSBEHCAGOR-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

7-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)-1H-quinolin-2-one
CID 167859815
4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064723
6-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 70291894
2-chloro-N-(5-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)acetamide
CID 146094664
ethane;6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 144695730
1-chloro-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
CID 138112918
5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 176510971
7-bromo-3,4-dihydro-2H-isoquinolin-1-one
CID 25067330
1-(2-aminoethyl)-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-6-one
CID 24764972
5-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 95730850
8-bromo-7-fluoro-3-methyl-1H-isothiochromen-4-one
CID 82885849
6-(3,5-difluorophenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 70289048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one (CID 130876453) is 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2c1ccc(F)c2Br.
What is the InChIKey of 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is QUKMUSBEHCAGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO/c10-8-5-3-4-12-9(13)6(5)1-2-7(8)11/h1-2H,3-4H2,(H,12,13).
What are the key properties of 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one?
5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 244.06 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 130876453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).