ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate

C18H21NO2 — CID 116532924

IUPACethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C)ccc2C)nc1CC
InChIInChI=1S/C18H21NO2/c1-5-16-14(18(20)21-6-2)9-10-17(19-16)15-11-12(3)7-8-13(15)4/h7-11H,5-6H2,1-4H3
InChIKeyYFZDJLKFIAIBOI-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.10
Rot. Bonds4

About ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate

ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate (PubChem CID 116532924) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
PubChem CID116532924
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C)ccc2C)nc1CC
InChIInChI=1S/C18H21NO2/c1-5-16-14(18(20)21-6-2)9-10-17(19-16)15-11-12(3)7-8-13(15)4/h7-11H,5-6H2,1-4H3
InChIKeyYFZDJLKFIAIBOI-UHFFFAOYSA-N
XLogP4.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917530
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
ethyl 6-cyano-2-ethylpyridine-3-carboxylate
CID 141150899
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid
CID 116533091
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 3-(2-amino-5-methylphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 66288201
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
methyl (2S)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7672051
ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
CID 104842583

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate (CID 116532924) is ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cc(C)ccc2C)nc1CC.
What is the InChIKey of ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate?
The InChIKey is YFZDJLKFIAIBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-5-16-14(18(20)21-6-2)9-10-17(19-16)15-11-12(3)7-8-13(15)4/h7-11H,5-6H2,1-4H3.
What are the key properties of ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate?
ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,5-dimethylphenyl)-2-ethylpyridine-3-carboxylate is sourced from PubChem (CID 116532924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).