5-bromopyrrolo[2,3-b]pyridin-2-one

C7H3BrN2O — CID 53421161

IUPAC5-bromopyrrolo[2,3-b]pyridin-2-one
SMILESO=C1C=c2cc(Br)cnc2=N1
InChIInChI=1S/C7H3BrN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1-3H
InChIKeyXVQXOFNUVIEGBD-UHFFFAOYSA-N
MW211.02 g/mol
LogP-0.22
Rot. Bonds

About 5-bromopyrrolo[2,3-b]pyridin-2-one

5-bromopyrrolo[2,3-b]pyridin-2-one (PubChem CID 53421161) has the molecular formula C7H3BrN2O and a molecular weight of 211.02 g/mol. Its IUPAC name is 5-bromopyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromopyrrolo[2,3-b]pyridin-2-one
PubChem CID53421161
Molecular FormulaC7H3BrN2O
Molecular Weight211.02 g/mol
Exact Mass209.94
IUPAC Name5-bromopyrrolo[2,3-b]pyridin-2-one
SMILESO=C1C=c2cc(Br)cnc2=N1
InChIInChI=1S/C7H3BrN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1-3H
InChIKeyXVQXOFNUVIEGBD-UHFFFAOYSA-N
XLogP-0.22
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-bromopyrrolo[2,3-b]pyridin-2-one (CID 53421161) is 5-bromopyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-bromopyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-bromopyrrolo[2,3-b]pyridin-2-one is O=C1C=c2cc(Br)cnc2=N1.
What is the InChIKey of 5-bromopyrrolo[2,3-b]pyridin-2-one?
The InChIKey is XVQXOFNUVIEGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN2O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1-3H.
What are the key properties of 5-bromopyrrolo[2,3-b]pyridin-2-one?
5-bromopyrrolo[2,3-b]pyridin-2-one has a molecular weight of 211.02 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 53421161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).