ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate

C11H17NO2 — CID 66933801

IUPACethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC(C)(CC)NC=C1
InChIInChI=1S/C11H17NO2/c1-4-11(3)8-9(6-7-12-11)10(13)14-5-2/h6-8,12H,4-5H2,1-3H3
InChIKeyUSGVNUNWXRDELV-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.76
Rot. Bonds3

About ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate

ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate (PubChem CID 66933801) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate
PubChem CID66933801
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC(C)(CC)NC=C1
InChIInChI=1S/C11H17NO2/c1-4-11(3)8-9(6-7-12-11)10(13)14-5-2/h6-8,12H,4-5H2,1-3H3
InChIKeyUSGVNUNWXRDELV-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-1,2-dihydropyridine-4-carboxylate
CID 142832625
ethyl 4-chloro-3,3-dimethylcyclopenta-1,4-diene-1-carboxylate
CID 102358042
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
ethyl 3a-ethyl-7a-hydroxy-2-methyl-7-oxo-4H-furo[3,2-b]pyridine-3-carboxylate
CID 11173171
6-ethoxycarbonyl-2-methyl-1H-pyridine-2-carboxylic acid
CID 86659766
ethyl 3-hydroxy-3-methyl-6-oxocyclohexa-1,4-diene-1-carboxylate
CID 10442660
ethyl 2-methyl-1H-pyridine-2-carboxylate
CID 21219562
ethyl 2-(1-amino-3-methylbutyl)-3H-oxadiazole-4-carboxylate
CID 18508048
ethyl 2H-pyran-5-carboxylate
CID 56632692
ethyl 3-(dimethylaminomethylidene)cyclopenta-1,4-diene-1-carboxylate
CID 173206927
ethyl 5-propan-2-ylpyrazine-2-carboxylate
CID 59617996
diethyl 4-(2-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13374598

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate (CID 66933801) is ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate is CCOC(=O)C1=CC(C)(CC)NC=C1.
What is the InChIKey of ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate?
The InChIKey is USGVNUNWXRDELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-11(3)8-9(6-7-12-11)10(13)14-5-2/h6-8,12H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate?
ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-methyl-1H-pyridine-4-carboxylate is sourced from PubChem (CID 66933801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).