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

C7H5FN2O — CID 130116159

IUPAC4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c1ccnc2F
InChIInChI=1S/C7H5FN2O/c8-6-5-3-10-7(11)4(5)1-2-9-6/h1-2H,3H2,(H,10,11)
InChIKeyQINOUGNANWYPHV-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.46
Rot. Bonds

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

4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 130116159) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID130116159
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESO=C1NCc2c1ccnc2F
InChIInChI=1S/C7H5FN2O/c8-6-5-3-10-7(11)4(5)1-2-9-6/h1-2H,3H2,(H,10,11)
InChIKeyQINOUGNANWYPHV-UHFFFAOYSA-N
XLogP0.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.46
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-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 130116159) is 4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is O=C1NCc2c1ccnc2F.
What is the InChIKey of 4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is QINOUGNANWYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/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-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 152.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 130116159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).