2-pyridin-4-ylindene-1,3-dione

C14H9NO2 — CID 694901

IUPAC2-pyridin-4-ylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1ccncc1
InChIInChI=1S/C14H9NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)9-5-7-15-8-6-9/h1-8,12H
InChIKeyXSPDDUQLHWGPSP-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.24
Rot. Bonds1

About 2-pyridin-4-ylindene-1,3-dione

2-pyridin-4-ylindene-1,3-dione (PubChem CID 694901) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-pyridin-4-ylindene-1,3-dione.

Molecular Properties

Compound Name2-pyridin-4-ylindene-1,3-dione
PubChem CID694901
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-pyridin-4-ylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1c1ccncc1
InChIInChI=1S/C14H9NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)9-5-7-15-8-6-9/h1-8,12H
InChIKeyXSPDDUQLHWGPSP-UHFFFAOYSA-N
XLogP2.24
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylindene-1,3-dione?
The IUPAC name of 2-pyridin-4-ylindene-1,3-dione (CID 694901) is 2-pyridin-4-ylindene-1,3-dione.
What is the SMILES notation for 2-pyridin-4-ylindene-1,3-dione?
The canonical SMILES for 2-pyridin-4-ylindene-1,3-dione is O=C1c2ccccc2C(=O)C1c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylindene-1,3-dione?
The InChIKey is XSPDDUQLHWGPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)9-5-7-15-8-6-9/h1-8,12H.
What are the key properties of 2-pyridin-4-ylindene-1,3-dione?
2-pyridin-4-ylindene-1,3-dione has a molecular weight of 223.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylindene-1,3-dione is sourced from PubChem (CID 694901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).