Ethyl-6-(4-tert-butylphenylethynyl)nicotinate

HCID 9861388
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Basic information

Standard SMILES
CCOC(=O)c1ccc(C#Cc2ccc(C(C)(C)C)cc2)nc1
InChIKey
DTPKMFSEYUMLDE-UHFFFAOYSA-N
Molecular formula
C20H21NO2
Average molar mass
307.4 g/mol

Names & identifiers

Preferred name
Ethyl-6-(4-tert-butylphenylethynyl)nicotinate
IUPAC
ethyl 6-[2-(4-tert-butylphenyl)ethynyl]pyridine-3-carboxylate

Names & synonyms

SCHEMBL8960507DTPKMFSEYUMLDE-UHFFFAOYSA-NEthyl-6-(4-tert-butylphenylethynyl)nicotinate

Database identifiers

PubChem CID
9861388

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
23

Related reactions

7 records
New reaction record

Compound notes

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