1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione

C15H13NO3 — CID 156773654

IUPAC1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
SMILESCOc1cccc(C(=O)CC(=O)c2ccccc2)n1
InChIInChI=1S/C15H13NO3/c1-19-15-9-5-8-12(16-15)14(18)10-13(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyHSRXYSRZVUITBV-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.55
Rot. Bonds5

About 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione

1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione (PubChem CID 156773654) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
PubChem CID156773654
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
SMILESCOc1cccc(C(=O)CC(=O)c2ccccc2)n1
InChIInChI=1S/C15H13NO3/c1-19-15-9-5-8-12(16-15)14(18)10-13(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyHSRXYSRZVUITBV-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

methyl 6-(3-oxo-3-phenylpropanoyl)pyridine-2-carboxylate
CID 91346041
1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride
CID 135349233
6-methoxypyridine-2-carbonyl chloride
CID 86688296
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921
6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
6-methoxy-N-naphthalen-1-ylpyridine-2-carboxamide
CID 84580589
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione (CID 156773654) is 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione is COc1cccc(C(=O)CC(=O)c2ccccc2)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione?
The InChIKey is HSRXYSRZVUITBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15-9-5-8-12(16-15)14(18)10-13(17)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione?
1-(6-methoxy-2-pyridinyl)-3-phenylpropane-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-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 156773654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).