5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione

C8H5BrN2O2 — CID 70700590

IUPAC5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(Br)cnc21
InChIInChI=1S/C8H5BrN2O2/c1-11-7-5(6(12)8(11)13)2-4(9)3-10-7/h2-3H,1H3
InChIKeyAJQKBOXVCYDTSS-UHFFFAOYSA-N
MW241.04 g/mol
LogP1.00
Rot. Bonds

About 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione

5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione (PubChem CID 70700590) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione
PubChem CID70700590
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione
SMILESCN1C(=O)C(=O)c2cc(Br)cnc21
InChIInChI=1S/C8H5BrN2O2/c1-11-7-5(6(12)8(11)13)2-4(9)3-10-7/h2-3H,1H3
InChIKeyAJQKBOXVCYDTSS-UHFFFAOYSA-N
XLogP1.00
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione?
The IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione (CID 70700590) is 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione.
What is the SMILES notation for 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione?
The canonical SMILES for 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione is CN1C(=O)C(=O)c2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione?
The InChIKey is AJQKBOXVCYDTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c1-11-7-5(6(12)8(11)13)2-4(9)3-10-7/h2-3H,1H3.
What are the key properties of 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione?
5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione has a molecular weight of 241.04 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione is sourced from PubChem (CID 70700590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).