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

C7H5BrN2O — CID 75481738

IUPAC7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1[nH]ccn2cc(Br)cc12
InChIInChI=1S/C7H5BrN2O/c8-5-3-6-7(11)9-1-2-10(6)4-5/h1-4H,(H,9,11)
InChIKeyDGTXTSXNQQYKRM-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.39
Rot. Bonds

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

7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 75481738) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID75481738
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1[nH]ccn2cc(Br)cc12
InChIInChI=1S/C7H5BrN2O/c8-5-3-6-7(11)9-1-2-10(6)4-5/h1-4H,(H,9,11)
InChIKeyDGTXTSXNQQYKRM-UHFFFAOYSA-N
XLogP1.39
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 75481738) is 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one is O=c1[nH]ccn2cc(Br)cc12.
What is the InChIKey of 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is DGTXTSXNQQYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-5-3-6-7(11)9-1-2-10(6)4-5/h1-4H,(H,9,11).
What are the key properties of 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 213.03 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 75481738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).