methyl 4-(2-pyridin-3-ylethyl)benzoate

C15H15NO2 — CID 19419104

IUPACmethyl 4-(2-pyridin-3-ylethyl)benzoate
SMILESCOC(=O)c1ccc(CCc2cccnc2)cc1
InChIInChI=1S/C15H15NO2/c1-18-15(17)14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h2-3,6-11H,4-5H2,1H3
InChIKeyZLMVCXJLWTUXMA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.65
Rot. Bonds4

About methyl 4-(2-pyridin-3-ylethyl)benzoate

methyl 4-(2-pyridin-3-ylethyl)benzoate (PubChem CID 19419104) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 4-(2-pyridin-3-ylethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-pyridin-3-ylethyl)benzoate
PubChem CID19419104
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 4-(2-pyridin-3-ylethyl)benzoate
SMILESCOC(=O)c1ccc(CCc2cccnc2)cc1
InChIInChI=1S/C15H15NO2/c1-18-15(17)14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h2-3,6-11H,4-5H2,1H3
InChIKeyZLMVCXJLWTUXMA-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(2-pyridin-3-ylethyl)pyrimidine-2-carboxylate
CID 162753381
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 11623587
(111C)methyl pyridine-3-carboxylate
CID 11309537
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 4-[4-oxo-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3712596
methyl 4-[[[(2S)-2-amino-2-phenylacetyl]-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 139608966
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585947
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-pyridin-3-ylethyl)benzoate?
The IUPAC name of methyl 4-(2-pyridin-3-ylethyl)benzoate (CID 19419104) is methyl 4-(2-pyridin-3-ylethyl)benzoate.
What is the SMILES notation for methyl 4-(2-pyridin-3-ylethyl)benzoate?
The canonical SMILES for methyl 4-(2-pyridin-3-ylethyl)benzoate is COC(=O)c1ccc(CCc2cccnc2)cc1.
What is the InChIKey of methyl 4-(2-pyridin-3-ylethyl)benzoate?
The InChIKey is ZLMVCXJLWTUXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-15(17)14-8-6-12(7-9-14)4-5-13-3-2-10-16-11-13/h2-3,6-11H,4-5H2,1H3.
What are the key properties of methyl 4-(2-pyridin-3-ylethyl)benzoate?
methyl 4-(2-pyridin-3-ylethyl)benzoate has a molecular weight of 241.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-pyridin-3-ylethyl)benzoate is sourced from PubChem (CID 19419104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).