2,4-ditert-butyl-6-ethoxypyridine

C15H25NO — CID 176622096

IUPAC2,4-ditert-butyl-6-ethoxypyridine
SMILESCCOc1cc(C(C)(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C15H25NO/c1-8-17-13-10-11(14(2,3)4)9-12(16-13)15(5,6)7/h9-10H,8H2,1-7H3
InChIKeySHGIBFPEAXOQSH-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.08
Rot. Bonds2

About 2,4-ditert-butyl-6-ethoxypyridine

2,4-ditert-butyl-6-ethoxypyridine (PubChem CID 176622096) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-ethoxypyridine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-ethoxypyridine
PubChem CID176622096
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,4-ditert-butyl-6-ethoxypyridine
SMILESCCOc1cc(C(C)(C)C)cc(C(C)(C)C)n1
InChIInChI=1S/C15H25NO/c1-8-17-13-10-11(14(2,3)4)9-12(16-13)15(5,6)7/h9-10H,8H2,1-7H3
InChIKeySHGIBFPEAXOQSH-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-ditert-butyl-6-ethoxypyridine 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

2,4-ditert-butyl-6-cyclopropyloxypyridine
CID 176622099
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
4,6-ditert-butylpyridin-2-amine
CID 166788497
2-tert-butyl-6-(3,3-dimethylbutoxy)-4-fluoropyridine
CID 170651568
4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine
CID 70869094
2-(6-ethoxypyrazin-2-yl)propan-2-amine
CID 130545214
1-(6-ethoxy-2-methylpyrimidin-4-yl)oxy-2-methylpropan-2-amine
CID 66333732
4-tert-butyl-2-ethoxy-1,3-oxazole
CID 118259111
4-chloro-2-(1,1-difluoroethyl)-6-ethoxypyrimidine
CID 170577812
4-(bromomethyl)-2,6-ditert-butylpyridine
CID 12930888
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-ethoxypyridine?
The IUPAC name of 2,4-ditert-butyl-6-ethoxypyridine (CID 176622096) is 2,4-ditert-butyl-6-ethoxypyridine.
What is the SMILES notation for 2,4-ditert-butyl-6-ethoxypyridine?
The canonical SMILES for 2,4-ditert-butyl-6-ethoxypyridine is CCOc1cc(C(C)(C)C)cc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-ethoxypyridine?
The InChIKey is SHGIBFPEAXOQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-8-17-13-10-11(14(2,3)4)9-12(16-13)15(5,6)7/h9-10H,8H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-ethoxypyridine?
2,4-ditert-butyl-6-ethoxypyridine has a molecular weight of 235.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-ethoxypyridine is sourced from PubChem (CID 176622096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).