2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C12H10FN3O — CID 11630374

IUPAC2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccncc3F)cc21
InChIInChI=1S/C12H10FN3O/c13-9-6-14-3-1-7(9)11-5-8-10(16-11)2-4-15-12(8)17/h1,3,5-6,16H,2,4H2,(H,15,17)
InChIKeyNZMXPMCCIUZYTE-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.50
Rot. Bonds1

About 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11630374) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11630374
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccncc3F)cc21
InChIInChI=1S/C12H10FN3O/c13-9-6-14-3-1-7(9)11-5-8-10(16-11)2-4-15-12(8)17/h1,3,5-6,16H,2,4H2,(H,15,17)
InChIKeyNZMXPMCCIUZYTE-UHFFFAOYSA-N
XLogP1.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11630374) is 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccncc3F)cc21.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is NZMXPMCCIUZYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-9-6-14-3-1-7(9)11-5-8-10(16-11)2-4-15-12(8)17/h1,3,5-6,16H,2,4H2,(H,15,17).
What are the key properties of 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 231.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11630374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).