4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C7H4Cl2N2O — CID 46899909

IUPAC4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c1cc(Cl)nc2Cl
InChIInChI=1S/C7H4Cl2N2O/c8-5-1-3-4(6(9)11-5)2-10-7(3)12/h1H,2H2,(H,10,12)
InChIKeyHCTXYCGMWHOAGN-UHFFFAOYSA-N
MW203.03 g/mol
LogP1.63
Rot. Bonds

About 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 46899909) has the molecular formula C7H4Cl2N2O and a molecular weight of 203.03 g/mol. Its IUPAC name is 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID46899909
Molecular FormulaC7H4Cl2N2O
Molecular Weight203.03 g/mol
Exact Mass201.97
IUPAC Name4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c1cc(Cl)nc2Cl
InChIInChI=1S/C7H4Cl2N2O/c8-5-1-3-4(6(9)11-5)2-10-7(3)12/h1H,2H2,(H,10,12)
InChIKeyHCTXYCGMWHOAGN-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 46899909) is 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is O=C1NCc2c1cc(Cl)nc2Cl.
What is the InChIKey of 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is HCTXYCGMWHOAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O/c8-5-1-3-4(6(9)11-5)2-10-7(3)12/h1H,2H2,(H,10,12).
What are the key properties of 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 203.03 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 46899909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).