5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

C7H4Cl2N2O — CID 10631965

IUPAC5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2nc(Cl)c(Cl)cc2N1
InChIInChI=1S/C7H4Cl2N2O/c8-3-1-4-5(11-7(3)9)2-6(12)10-4/h1H,2H2,(H,10,12)
InChIKeyWBELRPLQLMBTCK-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.88
Rot. Bonds

About 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one

5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (PubChem CID 10631965) has the molecular formula C7H4Cl2N2O and a molecular weight of 203.03 g/mol. Its IUPAC name is 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
PubChem CID10631965
Molecular FormulaC7H4Cl2N2O
Molecular Weight203.03 g/mol
Exact Mass201.97
IUPAC Name5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESO=C1Cc2nc(Cl)c(Cl)cc2N1
InChIInChI=1S/C7H4Cl2N2O/c8-3-1-4-5(11-7(3)9)2-6(12)10-4/h1H,2H2,(H,10,12)
InChIKeyWBELRPLQLMBTCK-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.88
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 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one (CID 10631965) is 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is O=C1Cc2nc(Cl)c(Cl)cc2N1.
What is the InChIKey of 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
The InChIKey is WBELRPLQLMBTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O/c8-3-1-4-5(11-7(3)9)2-6(12)10-4/h1H,2H2,(H,10,12).
What are the key properties of 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one?
5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one has a molecular weight of 203.03 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1,3-dihydropyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 10631965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).