ethyl 6-benzyl-5-methylpyridine-2-carboxylate

C16H17NO2 — CID 25194907

IUPACethyl 6-benzyl-5-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C)c(Cc2ccccc2)n1
InChIInChI=1S/C16H17NO2/c1-3-19-16(18)14-10-9-12(2)15(17-14)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyPDVJHRWZKLIJLI-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.16
Rot. Bonds4

About ethyl 6-benzyl-5-methylpyridine-2-carboxylate

ethyl 6-benzyl-5-methylpyridine-2-carboxylate (PubChem CID 25194907) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is ethyl 6-benzyl-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-5-methylpyridine-2-carboxylate
PubChem CID25194907
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Nameethyl 6-benzyl-5-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C)c(Cc2ccccc2)n1
InChIInChI=1S/C16H17NO2/c1-3-19-16(18)14-10-9-12(2)15(17-14)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyPDVJHRWZKLIJLI-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethyl 6-[(4-bromophenyl)methyl]-5-(2-chlorophenyl)pyridine-2-carboxylate
CID 25194879
ethyl 3-benzyl-4-methylbenzoate
CID 86240773
ethyl 4-benzyl-2-hydrazinylpyrimidine-5-carboxylate
CID 21220622
ethyl 6,8-dimethylquinoline-2-carboxylate
CID 102310352
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 90326174
ethyl 2-benzyl-6-(3-chlorophenyl)-4-methylpyridine-3-carboxylate
CID 175029958
benzyl 6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methylpyridine-2-carboxylate
CID 167248448
ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate
CID 132962109

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-5-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-benzyl-5-methylpyridine-2-carboxylate (CID 25194907) is ethyl 6-benzyl-5-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-5-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-benzyl-5-methylpyridine-2-carboxylate is CCOC(=O)c1ccc(C)c(Cc2ccccc2)n1.
What is the InChIKey of ethyl 6-benzyl-5-methylpyridine-2-carboxylate?
The InChIKey is PDVJHRWZKLIJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-19-16(18)14-10-9-12(2)15(17-14)11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 6-benzyl-5-methylpyridine-2-carboxylate?
ethyl 6-benzyl-5-methylpyridine-2-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 25194907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).