6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

C7H5BrN2O — CID 46941641

IUPAC6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(Br)cc2N1
InChIInChI=1S/C7H5BrN2O/c8-4-1-6-5(9-3-4)2-7(11)10-6/h1,3H,2H2,(H,10,11)
InChIKeyXRHPMEPZCXLPSM-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.34
Rot. Bonds

About 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (PubChem CID 46941641) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
PubChem CID46941641
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2ncc(Br)cc2N1
InChIInChI=1S/C7H5BrN2O/c8-4-1-6-5(9-3-4)2-7(11)10-6/h1,3H,2H2,(H,10,11)
InChIKeyXRHPMEPZCXLPSM-UHFFFAOYSA-N
XLogP1.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (CID 46941641) is 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is O=C1Cc2ncc(Br)cc2N1.
What is the InChIKey of 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The InChIKey is XRHPMEPZCXLPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-4-1-6-5(9-3-4)2-7(11)10-6/h1,3H,2H2,(H,10,11).
What are the key properties of 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one has a molecular weight of 213.03 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 46941641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).