ethyl 3-(5-methyl-2-pyridinyl)benzoate

C15H15NO2 — CID 71746517

IUPACethyl 3-(5-methyl-2-pyridinyl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccc(C)cn2)c1
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)13-6-4-5-12(9-13)14-8-7-11(2)10-16-14/h4-10H,3H2,1-2H3
InChIKeyJLZPCUISKRYZRJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.23
Rot. Bonds3

About ethyl 3-(5-methyl-2-pyridinyl)benzoate

ethyl 3-(5-methyl-2-pyridinyl)benzoate (PubChem CID 71746517) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 3-(5-methyl-2-pyridinyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(5-methyl-2-pyridinyl)benzoate
PubChem CID71746517
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 3-(5-methyl-2-pyridinyl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccc(C)cn2)c1
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)13-6-4-5-12(9-13)14-8-7-11(2)10-16-14/h4-10H,3H2,1-2H3
InChIKeyJLZPCUISKRYZRJ-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate
CID 67059870
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone
CID 140587112
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
CID 139271487
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methyl-2-pyridinyl)benzoate?
The IUPAC name of ethyl 3-(5-methyl-2-pyridinyl)benzoate (CID 71746517) is ethyl 3-(5-methyl-2-pyridinyl)benzoate.
What is the SMILES notation for ethyl 3-(5-methyl-2-pyridinyl)benzoate?
The canonical SMILES for ethyl 3-(5-methyl-2-pyridinyl)benzoate is CCOC(=O)c1cccc(-c2ccc(C)cn2)c1.
What is the InChIKey of ethyl 3-(5-methyl-2-pyridinyl)benzoate?
The InChIKey is JLZPCUISKRYZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-18-15(17)13-6-4-5-12(9-13)14-8-7-11(2)10-16-14/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-(5-methyl-2-pyridinyl)benzoate?
ethyl 3-(5-methyl-2-pyridinyl)benzoate has a molecular weight of 241.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methyl-2-pyridinyl)benzoate is sourced from PubChem (CID 71746517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).