4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C7H4Br2N2O — CID 74787751

IUPAC4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(ncc(Br)c2Br)N1
InChIInChI=1S/C7H4Br2N2O/c8-4-2-10-7-3(6(4)9)1-5(12)11-7/h2H,1H2,(H,10,11,12)
InChIKeyJQWZDDDETQVSIS-UHFFFAOYSA-N
MW291.93 g/mol
LogP2.10
Rot. Bonds

About 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 74787751) has the molecular formula C7H4Br2N2O and a molecular weight of 291.93 g/mol. Its IUPAC name is 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID74787751
Molecular FormulaC7H4Br2N2O
Molecular Weight291.93 g/mol
Exact Mass289.87
IUPAC Name4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(ncc(Br)c2Br)N1
InChIInChI=1S/C7H4Br2N2O/c8-4-2-10-7-3(6(4)9)1-5(12)11-7/h2H,1H2,(H,10,11,12)
InChIKeyJQWZDDDETQVSIS-UHFFFAOYSA-N
XLogP2.10
TPSA41.99 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 74787751) is 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c(ncc(Br)c2Br)N1.
What is the InChIKey of 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JQWZDDDETQVSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2N2O/c8-4-2-10-7-3(6(4)9)1-5(12)11-7/h2H,1H2,(H,10,11,12).
What are the key properties of 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 291.93 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 74787751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).