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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Related Compounds

CID 728521
CID 728521
CID 3442459
CID 3442459
CID 4583704
CID 4583704
CID 3239010
CID 3239010
CID 653954
CID 653954
CID 201533
CID 201533
CID 28599882
CID 28599882
CID 3236492
CID 3236492
CID 622617
CID 622617
CID 2920883
CID 2920883
CID 3161159
CID 3161159
CID 44166
CID 44166

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).