1,3-dipyridin-2-ylpropane-1,3-dione

C13H10N2O2 — CID 2728494

IUPAC1,3-dipyridin-2-ylpropane-1,3-dione
SMILESO=C(CC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-8H,9H2
InChIKeyDCGUVLMWGIPVDP-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.93
Rot. Bonds4

About 1,3-dipyridin-2-ylpropane-1,3-dione

1,3-dipyridin-2-ylpropane-1,3-dione (PubChem CID 2728494) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1,3-dipyridin-2-ylpropane-1,3-dione.

Molecular Properties

Compound Name1,3-dipyridin-2-ylpropane-1,3-dione
PubChem CID2728494
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name1,3-dipyridin-2-ylpropane-1,3-dione
SMILESO=C(CC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-8H,9H2
InChIKeyDCGUVLMWGIPVDP-UHFFFAOYSA-N
XLogP1.93
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 14286
CID 14286
CID 14273
CID 14273
CID 7038
CID 7038
CID 138872
CID 138872
CID 68115
CID 68115
CID 70790
CID 70790
CID 564760
CID 564760
CID 260384
CID 260384
CID 21771691
CID 21771691
CID 95910
CID 95910
CID 256073
CID 256073
CID 88065
CID 88065

Frequently Asked Questions

What is the IUPAC name of 1,3-dipyridin-2-ylpropane-1,3-dione?
The IUPAC name of 1,3-dipyridin-2-ylpropane-1,3-dione (CID 2728494) is 1,3-dipyridin-2-ylpropane-1,3-dione.
What is the SMILES notation for 1,3-dipyridin-2-ylpropane-1,3-dione?
The canonical SMILES for 1,3-dipyridin-2-ylpropane-1,3-dione is O=C(CC(=O)c1ccccn1)c1ccccn1.
What is the InChIKey of 1,3-dipyridin-2-ylpropane-1,3-dione?
The InChIKey is DCGUVLMWGIPVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-8H,9H2.
What are the key properties of 1,3-dipyridin-2-ylpropane-1,3-dione?
1,3-dipyridin-2-ylpropane-1,3-dione has a molecular weight of 226.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyridin-2-ylpropane-1,3-dione is sourced from PubChem (CID 2728494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).