2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one

C7H5ClN2O — CID 76848857

IUPAC2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
SMILESO=C1NCc2ccc(Cl)nc21
InChIInChI=1S/C7H5ClN2O/c8-5-2-1-4-3-9-7(11)6(4)10-5/h1-2H,3H2,(H,9,11)
InChIKeyYWVRQJYBHYCBBF-UHFFFAOYSA-N
MW168.58 g/mol
LogP0.98
Rot. Bonds

About 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one

2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one (PubChem CID 76848857) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
PubChem CID76848857
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
SMILESO=C1NCc2ccc(Cl)nc21
InChIInChI=1S/C7H5ClN2O/c8-5-2-1-4-3-9-7(11)6(4)10-5/h1-2H,3H2,(H,9,11)
InChIKeyYWVRQJYBHYCBBF-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'}

Analyze 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one (CID 76848857) is 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one is O=C1NCc2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one?
The InChIKey is YWVRQJYBHYCBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-5-2-1-4-3-9-7(11)6(4)10-5/h1-2H,3H2,(H,9,11).
What are the key properties of 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one?
2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-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 2-chloro-5,6-dihydropyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 76848857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).