7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C13H9BrN2O — CID 15697626

IUPAC7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NC(c2ccccc2Br)c2ncccc21
InChIInChI=1S/C13H9BrN2O/c14-10-6-2-1-4-8(10)12-11-9(13(17)16-12)5-3-7-15-11/h1-7,12H,(H,16,17)
InChIKeyYKLKDTITUFYJJI-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.68
Rot. Bonds1

About 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 15697626) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID15697626
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NC(c2ccccc2Br)c2ncccc21
InChIInChI=1S/C13H9BrN2O/c14-10-6-2-1-4-8(10)12-11-9(13(17)16-12)5-3-7-15-11/h1-7,12H,(H,16,17)
InChIKeyYKLKDTITUFYJJI-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 15697626) is 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NC(c2ccccc2Br)c2ncccc21.
What is the InChIKey of 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is YKLKDTITUFYJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-10-6-2-1-4-8(10)12-11-9(13(17)16-12)5-3-7-15-11/h1-7,12H,(H,16,17).
What are the key properties of 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 289.13 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromophenyl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 15697626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).