1,5-dipyridin-2-ylpentane-1,3,5-trione

C15H12N2O3 — CID 11369181

IUPAC1,5-dipyridin-2-ylpentane-1,3,5-trione
SMILESO=C(CC(=O)c1ccccn1)CC(=O)c1ccccn1
InChIInChI=1S/C15H12N2O3/c18-11(9-14(19)12-5-1-3-7-16-12)10-15(20)13-6-2-4-8-17-13/h1-8H,9-10H2
InChIKeyUXCBOWMRKBJEGR-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.89
Rot. Bonds6

About 1,5-dipyridin-2-ylpentane-1,3,5-trione

1,5-dipyridin-2-ylpentane-1,3,5-trione (PubChem CID 11369181) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1,5-dipyridin-2-ylpentane-1,3,5-trione.

Molecular Properties

Compound Name1,5-dipyridin-2-ylpentane-1,3,5-trione
PubChem CID11369181
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1,5-dipyridin-2-ylpentane-1,3,5-trione
SMILESO=C(CC(=O)c1ccccn1)CC(=O)c1ccccn1
InChIInChI=1S/C15H12N2O3/c18-11(9-14(19)12-5-1-3-7-16-12)10-15(20)13-6-2-4-8-17-13/h1-8H,9-10H2
InChIKeyUXCBOWMRKBJEGR-UHFFFAOYSA-N
XLogP1.89
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dipyridin-2-ylpentane-1,3,5-trione?
The IUPAC name of 1,5-dipyridin-2-ylpentane-1,3,5-trione (CID 11369181) is 1,5-dipyridin-2-ylpentane-1,3,5-trione.
What is the SMILES notation for 1,5-dipyridin-2-ylpentane-1,3,5-trione?
The canonical SMILES for 1,5-dipyridin-2-ylpentane-1,3,5-trione is O=C(CC(=O)c1ccccn1)CC(=O)c1ccccn1.
What is the InChIKey of 1,5-dipyridin-2-ylpentane-1,3,5-trione?
The InChIKey is UXCBOWMRKBJEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-11(9-14(19)12-5-1-3-7-16-12)10-15(20)13-6-2-4-8-17-13/h1-8H,9-10H2.
What are the key properties of 1,5-dipyridin-2-ylpentane-1,3,5-trione?
1,5-dipyridin-2-ylpentane-1,3,5-trione has a molecular weight of 268.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipyridin-2-ylpentane-1,3,5-trione is sourced from PubChem (CID 11369181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).