ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate

C11H15NO3 — CID 5314331

IUPACethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C)ncc1OC
InChIInChI=1S/C11H15NO3/c1-4-15-11(13)6-9-5-8(2)12-7-10(9)14-3/h5,7H,4,6H2,1-3H3
InChIKeyDVFMSPIMAPEVAV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.50
Rot. Bonds4

About ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate

ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate (PubChem CID 5314331) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
PubChem CID5314331
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(C)ncc1OC
InChIInChI=1S/C11H15NO3/c1-4-15-11(13)6-9-5-8(2)12-7-10(9)14-3/h5,7H,4,6H2,1-3H3
InChIKeyDVFMSPIMAPEVAV-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
CID 133097335
ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate
CID 106660444
ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976
ethyl 2-(3-methoxypyrazin-2-yl)acetate
CID 112692734
ethyl 2-(2-amino-5-fluoro-3-pyridinyl)acetate;hydrobromide
CID 66789137
ethyl 2-(2-amino-5-methoxy-3-pyridinyl)acetate
CID 170599003
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-[4-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]acetate
CID 133100321
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)acetate
CID 171008386
ethyl 2-(4-fluoro-5-methoxy-2-methylphenyl)acetate
CID 171008387
ethyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017711
(5-ethoxy-2-methyl-4-pyridinyl)methanol
CID 118425671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate (CID 5314331) is ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate is CCOC(=O)Cc1cc(C)ncc1OC.
What is the InChIKey of ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate?
The InChIKey is DVFMSPIMAPEVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-15-11(13)6-9-5-8(2)12-7-10(9)14-3/h5,7H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate?
ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate is sourced from PubChem (CID 5314331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).