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

C7H4BrClN2O — CID 76847812

IUPAC4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(Br)cc(Cl)nc2N1
InChIInChI=1S/C7H4BrClN2O/c8-4-2-5(9)10-7-3(4)1-6(12)11-7/h2H,1H2,(H,10,11,12)
InChIKeyMGQSWHFVWSBWLY-UHFFFAOYSA-N
MW247.48 g/mol
LogP1.99
Rot. Bonds

About 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 76847812) has the molecular formula C7H4BrClN2O and a molecular weight of 247.48 g/mol. Its IUPAC name is 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID76847812
Molecular FormulaC7H4BrClN2O
Molecular Weight247.48 g/mol
Exact Mass245.92
IUPAC Name4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(Br)cc(Cl)nc2N1
InChIInChI=1S/C7H4BrClN2O/c8-4-2-5(9)10-7-3(4)1-6(12)11-7/h2H,1H2,(H,10,11,12)
InChIKeyMGQSWHFVWSBWLY-UHFFFAOYSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 76847812) is 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c(Br)cc(Cl)nc2N1.
What is the InChIKey of 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is MGQSWHFVWSBWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2O/c8-4-2-5(9)10-7-3(4)1-6(12)11-7/h2H,1H2,(H,10,11,12).
What are the key properties of 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 247.48 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 76847812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).