ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate

C11H17NO2 — CID 66933802

IUPACethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC=NC(C)(CC)C1
InChIInChI=1S/C11H17NO2/c1-4-11(3)8-9(6-7-12-11)10(13)14-5-2/h6-7H,4-5,8H2,1-3H3
InChIKeyPMYBYVCDRCWEQA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.12
Rot. Bonds3

About ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate

ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate (PubChem CID 66933802) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate
PubChem CID66933802
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC=NC(C)(CC)C1
InChIInChI=1S/C11H17NO2/c1-4-11(3)8-9(6-7-12-11)10(13)14-5-2/h6-7H,4-5,8H2,1-3H3
InChIKeyPMYBYVCDRCWEQA-UHFFFAOYSA-N
XLogP2.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate?
The IUPAC name of ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate (CID 66933802) is ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate is CCOC(=O)C1=CC=NC(C)(CC)C1.
What is the InChIKey of ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate?
The InChIKey is PMYBYVCDRCWEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-11(3)8-9(6-7-12-11)10(13)14-5-2/h6-7H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate?
ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-methyl-3H-pyridine-4-carboxylate is sourced from PubChem (CID 66933802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).