6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one

C7H4Br2N2O — CID 11483192

IUPAC6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1[nH]ccn2c(Br)c(Br)cc12
InChIInChI=1S/C7H4Br2N2O/c8-4-3-5-7(12)10-1-2-11(5)6(4)9/h1-3H,(H,10,12)
InChIKeyDVJXLGFDWSCHKZ-UHFFFAOYSA-N
MW291.93 g/mol
LogP2.15
Rot. Bonds

About 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one

6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 11483192) has the molecular formula C7H4Br2N2O and a molecular weight of 291.93 g/mol. Its IUPAC name is 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID11483192
Molecular FormulaC7H4Br2N2O
Molecular Weight291.93 g/mol
Exact Mass289.87
IUPAC Name6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1[nH]ccn2c(Br)c(Br)cc12
InChIInChI=1S/C7H4Br2N2O/c8-4-3-5-7(12)10-1-2-11(5)6(4)9/h1-3H,(H,10,12)
InChIKeyDVJXLGFDWSCHKZ-UHFFFAOYSA-N
XLogP2.15
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.93
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 11483192) is 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one is O=c1[nH]ccn2c(Br)c(Br)cc12.
What is the InChIKey of 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is DVJXLGFDWSCHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2O/c8-4-3-5-7(12)10-1-2-11(5)6(4)9/h1-3H,(H,10,12).
What are the key properties of 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 291.93 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 11483192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).