2-ethylhexyl pyridine-2-carboxylate

C14H21NO2 — CID 46198409

IUPAC2-ethylhexyl pyridine-2-carboxylate
SMILESCCCCC(CC)COC(=O)c1ccccn1
InChIInChI=1S/C14H21NO2/c1-3-5-8-12(4-2)11-17-14(16)13-9-6-7-10-15-13/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKeySZPRTSVNMGJYAY-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.45
Rot. Bonds7

About 2-ethylhexyl pyridine-2-carboxylate

2-ethylhexyl pyridine-2-carboxylate (PubChem CID 46198409) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethylhexyl pyridine-2-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl pyridine-2-carboxylate
PubChem CID46198409
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-ethylhexyl pyridine-2-carboxylate
SMILESCCCCC(CC)COC(=O)c1ccccn1
InChIInChI=1S/C14H21NO2/c1-3-5-8-12(4-2)11-17-14(16)13-9-6-7-10-15-13/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKeySZPRTSVNMGJYAY-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethylhexyl pyridine-2-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

bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
2-methylpentyl pyridine-2-carboxylate
CID 150671770
6-O-(2-ethylhexyl) 2-O-pentyl pyridine-2,6-dicarboxylate
CID 91725133
6-O-(2-ethylhexyl) 2-O-tetradecyl pyridine-2,6-dicarboxylate
CID 91724878
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
benzoic acid;2-ethylhexyl benzoate
CID 90214866
bis(2-ethyldecyl) benzene-1,2-dicarboxylate
CID 18462811
1-O-(2-ethyldecyl) 2-O-(2-ethylundecyl) benzene-1,2-dicarboxylate
CID 44589518
ethyl pyridine-2-carboxylate
CID 17307
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094
1-O-decyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
CID 3020636
2-ethylhexyl 6-chloropyrazine-2-carboxylate
CID 106547540

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl pyridine-2-carboxylate?
The IUPAC name of 2-ethylhexyl pyridine-2-carboxylate (CID 46198409) is 2-ethylhexyl pyridine-2-carboxylate.
What is the SMILES notation for 2-ethylhexyl pyridine-2-carboxylate?
The canonical SMILES for 2-ethylhexyl pyridine-2-carboxylate is CCCCC(CC)COC(=O)c1ccccn1.
What is the InChIKey of 2-ethylhexyl pyridine-2-carboxylate?
The InChIKey is SZPRTSVNMGJYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-5-8-12(4-2)11-17-14(16)13-9-6-7-10-15-13/h6-7,9-10,12H,3-5,8,11H2,1-2H3.
What are the key properties of 2-ethylhexyl pyridine-2-carboxylate?
2-ethylhexyl pyridine-2-carboxylate has a molecular weight of 235.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl pyridine-2-carboxylate is sourced from PubChem (CID 46198409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).