1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione

C15H13NO3 — CID 43321352

IUPAC1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
SMILESCOc1cccc(C(=O)CC(=O)c2cccnc2)c1
InChIInChI=1S/C15H13NO3/c1-19-13-6-2-4-11(8-13)14(17)9-15(18)12-5-3-7-16-10-12/h2-8,10H,9H2,1H3
InChIKeyPEASYOFXHZNLTQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione

1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione (PubChem CID 43321352) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
PubChem CID43321352
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
SMILESCOc1cccc(C(=O)CC(=O)c2cccnc2)c1
InChIInChI=1S/C15H13NO3/c1-19-13-6-2-4-11(8-13)14(17)9-15(18)12-5-3-7-16-10-12/h2-8,10H,9H2,1H3
InChIKeyPEASYOFXHZNLTQ-UHFFFAOYSA-N
XLogP2.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.55
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

1-(3-methoxyphenyl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552675
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
1-[3-methoxy-4-(methoxymethoxy)phenyl]-3-pyridin-3-ylpropane-1,3-dione
CID 134180858
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630
1-[6-(3-oxo-3-pyridin-3-ylpropanoyl)-2-pyridinyl]-3-pyridin-3-ylpropane-1,3-dione
CID 123224159
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione?
The IUPAC name of 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione (CID 43321352) is 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione is COc1cccc(C(=O)CC(=O)c2cccnc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione?
The InChIKey is PEASYOFXHZNLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-13-6-2-4-11(8-13)14(17)9-15(18)12-5-3-7-16-10-12/h2-8,10H,9H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione?
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione has a molecular weight of 255.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione is sourced from PubChem (CID 43321352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).