6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one

C11H7BrN4O2 — CID 20866868

IUPAC6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
SMILESO=C1c2nccnc2C(O)N1c1ccc(Br)cn1
InChIInChI=1S/C11H7BrN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H
InChIKeyLGSDLXIXXSAQLC-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.29
Rot. Bonds1

About 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one

6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one (PubChem CID 20866868) has the molecular formula C11H7BrN4O2 and a molecular weight of 307.11 g/mol. Its IUPAC name is 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
PubChem CID20866868
Molecular FormulaC11H7BrN4O2
Molecular Weight307.11 g/mol
Exact Mass305.98
IUPAC Name6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
SMILESO=C1c2nccnc2C(O)N1c1ccc(Br)cn1
InChIInChI=1S/C11H7BrN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H
InChIKeyLGSDLXIXXSAQLC-UHFFFAOYSA-N
XLogP1.29
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one (CID 20866868) is 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one is O=C1c2nccnc2C(O)N1c1ccc(Br)cn1.
What is the InChIKey of 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one?
The InChIKey is LGSDLXIXXSAQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H.
What are the key properties of 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one?
6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one has a molecular weight of 307.11 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 20866868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).