ethyl 4-ethoxy-6-methylpyridine-3-carboxylate

C11H15NO3 — CID 45094185

IUPACethyl 4-ethoxy-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)cc1OCC
InChIInChI=1S/C11H15NO3/c1-4-14-10-6-8(3)12-7-9(10)11(13)15-5-2/h6-7H,4-5H2,1-3H3
InChIKeyXWGXVPBKJNOPGR-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.97
Rot. Bonds4

About ethyl 4-ethoxy-6-methylpyridine-3-carboxylate

ethyl 4-ethoxy-6-methylpyridine-3-carboxylate (PubChem CID 45094185) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 4-ethoxy-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-6-methylpyridine-3-carboxylate
PubChem CID45094185
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 4-ethoxy-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)cc1OCC
InChIInChI=1S/C11H15NO3/c1-4-14-10-6-8(3)12-7-9(10)11(13)15-5-2/h6-7H,4-5H2,1-3H3
InChIKeyXWGXVPBKJNOPGR-UHFFFAOYSA-N
XLogP1.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenoxynicotinic acid
CID 123450
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682
2-Methoxynicotinic acid
CID 708093
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Methyl 6-methoxypyridine-3-carboxylate
CID 586039
Phenyl 3-pyridinecarboxylate
CID 77018
3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
Phenyl 2-phenoxynicotinate
CID 2797686
2-Methylphenyl nicotinate
CID 829373
Methyl 6-methylnicotinate
CID 231548

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethoxy-6-methylpyridine-3-carboxylate (CID 45094185) is ethyl 4-ethoxy-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)cc1OCC.
What is the InChIKey of ethyl 4-ethoxy-6-methylpyridine-3-carboxylate?
The InChIKey is XWGXVPBKJNOPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-14-10-6-8(3)12-7-9(10)11(13)15-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethoxy-6-methylpyridine-3-carboxylate?
ethyl 4-ethoxy-6-methylpyridine-3-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 45094185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).