6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C11H8BrFN2O — CID 90036902

IUPAC6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1cc1cc(F)cc(Br)c12
InChIInChI=1S/C11H8BrFN2O/c12-8-5-7(13)3-6-4-9-11(16)14-1-2-15(9)10(6)8/h3-5H,1-2H2,(H,14,16)
InChIKeyZFFOBTFXVCCAPE-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.29
Rot. Bonds

About 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 90036902) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID90036902
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1cc1cc(F)cc(Br)c12
InChIInChI=1S/C11H8BrFN2O/c12-8-5-7(13)3-6-4-9-11(16)14-1-2-15(9)10(6)8/h3-5H,1-2H2,(H,14,16)
InChIKeyZFFOBTFXVCCAPE-UHFFFAOYSA-N
XLogP2.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-bromo-8-fluoro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 68892787
8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 134463329
7-bromo-9-fluoro-1-methyl-4,5-dihydro-3H-[1,4]diazepino[1,2-a]indole
CID 123340439
1-oxo-6-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 90035947
8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 158783229
7-chloro-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 162434224
6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 10911822
7-(4-fluorophenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile
CID 118341184
2-chloro-6-fluoro-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 176572195
1-oxo-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 118341152
7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 123146872
7-(4-chloro-2-fluorophenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile;6-(3,5-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile;7-(2,4-difluorophenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile
CID 90036522

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 90036902) is 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is O=C1NCCn2c1cc1cc(F)cc(Br)c12.
What is the InChIKey of 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is ZFFOBTFXVCCAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-8-5-7(13)3-6-4-9-11(16)14-1-2-15(9)10(6)8/h3-5H,1-2H2,(H,14,16).
What are the key properties of 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 283.10 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 90036902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).