ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate

C12H17NO3 — CID 118617535

IUPACethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C)c1OC
InChIInChI=1S/C12H17NO3/c1-6-16-12(14)10-9(4)13-8(3)7(2)11(10)15-5/h6H2,1-5H3
InChIKeyMYUKAAQSCNRUEV-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.19
Rot. Bonds3

About ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate

ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate (PubChem CID 118617535) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate
PubChem CID118617535
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(C)c(C)c1OC
InChIInChI=1S/C12H17NO3/c1-6-16-12(14)10-9(4)13-8(3)7(2)11(10)15-5/h6H2,1-5H3
InChIKeyMYUKAAQSCNRUEV-UHFFFAOYSA-N
XLogP2.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 6-methyl-4-(pentan-3-yloxy)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 24768323
Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate
CID 99572
Methyl 2-methoxy-6-methylpyridine-3-carboxylate
CID 10910170
2-Methoxy-6-methylpyridine-3-carboxylic acid
CID 22494228
2-Ethoxy-6-methylpyridine-3-carboxylic acid
CID 62701541
8-Methoxy-5,6-dimethyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 162894713
3,5-Pyridinedicarboxylic acid, 4-ethyl-2,6-dimethyl-, diethyl ester
CID 10891221
5-Bromo-2-methoxy-4,6-dimethylpyridine-3-carboxylic acid
CID 134163326
Ethyl 4,6-Dimethoxy-2-(trifluoromethyl)-3-pyridinecarboxylate
CID 13726786
2-(Cyclohexylmethoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 62382414
Diethyl 6-ethoxy-4-methylpyridine-2,5-dicarboxylate
CID 15660512
Methyl 2-methoxy-4,6-dimethylnicotinate
CID 11041661

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate (CID 118617535) is ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate is CCOC(=O)c1c(C)nc(C)c(C)c1OC.
What is the InChIKey of ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate?
The InChIKey is MYUKAAQSCNRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-6-16-12(14)10-9(4)13-8(3)7(2)11(10)15-5/h6H2,1-5H3.
What are the key properties of ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate?
ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate has a molecular weight of 223.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate is sourced from PubChem (CID 118617535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).