1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid

C14H8N2O4 — CID 775580

IUPAC1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1cccnc1)C2=O
InChIInChI=1S/C14H8N2O4/c17-12-10-4-3-8(14(19)20)6-11(10)13(18)16(12)9-2-1-5-15-7-9/h1-7H,(H,19,20)
InChIKeyGBXDDZNYIUMDCM-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.58
Rot. Bonds2

About 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid

1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid (PubChem CID 775580) has the molecular formula C14H8N2O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid.

Molecular Properties

Compound Name1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid
PubChem CID775580
Molecular FormulaC14H8N2O4
Molecular Weight268.23 g/mol
Exact Mass268.05
IUPAC Name1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(c1cccnc1)C2=O
InChIInChI=1S/C14H8N2O4/c17-12-10-4-3-8(14(19)20)6-11(10)13(18)16(12)9-2-1-5-15-7-9/h1-7H,(H,19,20)
InChIKeyGBXDDZNYIUMDCM-UHFFFAOYSA-N
XLogP1.58
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.58
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 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid?
The IUPAC name of 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid (CID 775580) is 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid.
What is the SMILES notation for 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid?
The canonical SMILES for 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(c1cccnc1)C2=O.
What is the InChIKey of 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid?
The InChIKey is GBXDDZNYIUMDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4/c17-12-10-4-3-8(14(19)20)6-11(10)13(18)16(12)9-2-1-5-15-7-9/h1-7H,(H,19,20).
What are the key properties of 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid?
1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-pyridin-3-ylisoindole-5-carboxylic acid is sourced from PubChem (CID 775580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).