ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate

C17H19NO3 — CID 115917504

IUPACethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(OCC)cc2)nc1C
InChIInChI=1S/C17H19NO3/c1-4-20-14-8-6-13(7-9-14)16-11-10-15(12(3)18-16)17(19)21-5-2/h6-11H,4-5H2,1-3H3
InChIKeyRMEUJVVTZMARGQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.63
Rot. Bonds5

About ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate

ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate (PubChem CID 115917504) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
PubChem CID115917504
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(OCC)cc2)nc1C
InChIInChI=1S/C17H19NO3/c1-4-20-14-8-6-13(7-9-14)16-11-10-15(12(3)18-16)17(19)21-5-2/h6-11H,4-5H2,1-3H3
InChIKeyRMEUJVVTZMARGQ-UHFFFAOYSA-N
XLogP3.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453144
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
CID 71653208
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
2-methyl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbohydrazide
CID 82453181
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82453135
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate (CID 115917504) is ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc(OCC)cc2)nc1C.
What is the InChIKey of ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate?
The InChIKey is RMEUJVVTZMARGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-20-14-8-6-13(7-9-14)16-11-10-15(12(3)18-16)17(19)21-5-2/h6-11H,4-5H2,1-3H3.
What are the key properties of ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate?
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 115917504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).