2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid

C14H7FN2O4 — CID 81498924

IUPAC2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C14H7FN2O4/c15-10-3-1-2-8(14(20)21)11(10)17-12(18)7-4-5-16-6-9(7)13(17)19/h1-6H,(H,20,21)
InChIKeyYXUUDYLKWYNBJU-UHFFFAOYSA-N
MW286.22 g/mol
LogP1.72
Rot. Bonds2

About 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid

2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid (PubChem CID 81498924) has the molecular formula C14H7FN2O4 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid
PubChem CID81498924
Molecular FormulaC14H7FN2O4
Molecular Weight286.22 g/mol
Exact Mass286.04
IUPAC Name2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C14H7FN2O4/c15-10-3-1-2-8(14(20)21)11(10)17-12(18)7-4-5-16-6-9(7)13(17)19/h1-6H,(H,20,21)
InChIKeyYXUUDYLKWYNBJU-UHFFFAOYSA-N
XLogP1.72
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid?
The IUPAC name of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid (CID 81498924) is 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid?
The canonical SMILES for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1N1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid?
The InChIKey is YXUUDYLKWYNBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN2O4/c15-10-3-1-2-8(14(20)21)11(10)17-12(18)7-4-5-16-6-9(7)13(17)19/h1-6H,(H,20,21).
What are the key properties of 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid?
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid has a molecular weight of 286.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 81498924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).