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

C7H6BrFN2O — CID 134463329

IUPAC8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCCn2c(F)cc(Br)c21
InChIInChI=1S/C7H6BrFN2O/c8-4-3-5(9)11-2-1-10-7(12)6(4)11/h3H,1-2H2,(H,10,12)
InChIKeyWZWDQCLXZMAZRA-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.13
Rot. Bonds

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

8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 134463329) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID134463329
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NCCn2c(F)cc(Br)c21
InChIInChI=1S/C7H6BrFN2O/c8-4-3-5(9)11-2-1-10-7(12)6(4)11/h3H,1-2H2,(H,10,12)
InChIKeyWZWDQCLXZMAZRA-UHFFFAOYSA-N
XLogP1.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 90036902
8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 10851365
9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 18520478
8-fluoro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 130281358
1-(5-bromo-2,4-difluorophenyl)imidazolidin-2-one
CID 102855679
8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 86288287
7-bromo-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
CID 166901625
7-chloro-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 162434224
8-fluoro-6-(4-fluorophenyl)-10-(trifluoromethyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 73335312
7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 123146872
7-bromo-1,3,4,5-tetrahydropyrimido[1,6-a][1,3,5]triazepine-2,9-dione
CID 82380301
6-(4-chlorophenyl)-8-fluoro-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-fluoro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 159133405

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 134463329) is 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C1NCCn2c(F)cc(Br)c21.
What is the InChIKey of 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is WZWDQCLXZMAZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-4-3-5(9)11-2-1-10-7(12)6(4)11/h3H,1-2H2,(H,10,12).
What are the key properties of 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 233.04 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 134463329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).