methyl 3-phenyl-2-pyridin-2-ylpropanoate

C15H15NO2 — CID 72942694

IUPACmethyl 3-phenyl-2-pyridin-2-ylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C15H15NO2/c1-18-15(17)13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h2-10,13H,11H2,1H3
InChIKeyZCMGYOFMEAVPJB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.58
Rot. Bonds4

About methyl 3-phenyl-2-pyridin-2-ylpropanoate

methyl 3-phenyl-2-pyridin-2-ylpropanoate (PubChem CID 72942694) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 3-phenyl-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-pyridin-2-ylpropanoate
PubChem CID72942694
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 3-phenyl-2-pyridin-2-ylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C15H15NO2/c1-18-15(17)13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h2-10,13H,11H2,1H3
InChIKeyZCMGYOFMEAVPJB-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-pyridin-2-ylpropanoate?
The IUPAC name of methyl 3-phenyl-2-pyridin-2-ylpropanoate (CID 72942694) is methyl 3-phenyl-2-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl 3-phenyl-2-pyridin-2-ylpropanoate?
The canonical SMILES for methyl 3-phenyl-2-pyridin-2-ylpropanoate is COC(=O)C(Cc1ccccc1)c1ccccn1.
What is the InChIKey of methyl 3-phenyl-2-pyridin-2-ylpropanoate?
The InChIKey is ZCMGYOFMEAVPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-15(17)13(14-9-5-6-10-16-14)11-12-7-3-2-4-8-12/h2-10,13H,11H2,1H3.
What are the key properties of methyl 3-phenyl-2-pyridin-2-ylpropanoate?
methyl 3-phenyl-2-pyridin-2-ylpropanoate has a molecular weight of 241.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 72942694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).