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

C7H5ClN2O — CID 82597832

IUPAC4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c1ccnc2Cl
InChIInChI=1S/C7H5ClN2O/c8-6-5-3-10-7(11)4(5)1-2-9-6/h1-2H,3H2,(H,10,11)
InChIKeyGEQCNYGKEAREBK-UHFFFAOYSA-N
MW168.58 g/mol
LogP0.98
Rot. Bonds

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

4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 82597832) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID82597832
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c1ccnc2Cl
InChIInChI=1S/C7H5ClN2O/c8-6-5-3-10-7(11)4(5)1-2-9-6/h1-2H,3H2,(H,10,11)
InChIKeyGEQCNYGKEAREBK-UHFFFAOYSA-N
XLogP0.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 50.98
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-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 82597832) is 4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is O=C1NCc2c1ccnc2Cl.
What is the InChIKey of 4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is GEQCNYGKEAREBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-6-5-3-10-7(11)4(5)1-2-9-6/h1-2H,3H2,(H,10,11).
What are the key properties of 4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 168.58 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 82597832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).