4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

C7H5FN2O — CID 53412864

IUPAC4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESO=c1cc(F)c2cc[nH]c2[nH]1
InChIInChI=1S/C7H5FN2O/c8-5-3-6(11)10-7-4(5)1-2-9-7/h1-3H,(H2,9,10,11)
InChIKeyVXEXHLJTFTXCAP-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.00
Rot. Bonds

About 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (PubChem CID 53412864) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
PubChem CID53412864
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESO=c1cc(F)c2cc[nH]c2[nH]1
InChIInChI=1S/C7H5FN2O/c8-5-3-6(11)10-7-4(5)1-2-9-7/h1-3H,(H2,9,10,11)
InChIKeyVXEXHLJTFTXCAP-UHFFFAOYSA-N
XLogP1.00
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-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 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (CID 53412864) is 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is O=c1cc(F)c2cc[nH]c2[nH]1.
What is the InChIKey of 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The InChIKey is VXEXHLJTFTXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-5-3-6(11)10-7-4(5)1-2-9-7/h1-3H,(H2,9,10,11).
What are the key properties of 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one has a molecular weight of 152.13 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 53412864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).