6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione

C11H5ClN4O2 — CID 6451973

IUPAC6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESO=C1c2nccnc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C11H5ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5H
InChIKeyFFXYIKCDZBXDNR-UHFFFAOYSA-N
MW260.64 g/mol
LogP1.33
Rot. Bonds1

About 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione

6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 6451973) has the molecular formula C11H5ClN4O2 and a molecular weight of 260.64 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID6451973
Molecular FormulaC11H5ClN4O2
Molecular Weight260.64 g/mol
Exact Mass260.01
IUPAC Name6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESO=C1c2nccnc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C11H5ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5H
InChIKeyFFXYIKCDZBXDNR-UHFFFAOYSA-N
XLogP1.33
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione (CID 6451973) is 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione is O=C1c2nccnc2C(=O)N1c1ccc(Cl)cn1.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is FFXYIKCDZBXDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5H.
What are the key properties of 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 260.64 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 6451973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).