tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate

C14H17NO2 — CID 67027096

IUPACtert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate
SMILESC=Cc1cc(C(=O)OC(C)(C)C)cc(C=C)n1
InChIInChI=1S/C14H17NO2/c1-6-11-8-10(9-12(7-2)15-11)13(16)17-14(3,4)5/h6-9H,1-2H2,3-5H3
InChIKeyPAXAHJFOKKJPSO-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.32
Rot. Bonds3

About tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate

tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate (PubChem CID 67027096) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate
PubChem CID67027096
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nametert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate
SMILESC=Cc1cc(C(=O)OC(C)(C)C)cc(C=C)n1
InChIInChI=1S/C14H17NO2/c1-6-11-8-10(9-12(7-2)15-11)13(16)17-14(3,4)5/h6-9H,1-2H2,3-5H3
InChIKeyPAXAHJFOKKJPSO-UHFFFAOYSA-N
XLogP3.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86657031
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
tert-butyl 4-ethenyl-3-hydroxybenzoate
CID 66624692
tert-butyl 3,5-dicarbonochloridoylbenzoate
CID 58288787
ditert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 24728886
tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
CID 133059070
tert-butyl 3-bromo-5-(1-fluoroethenyl)benzoate
CID 155586673
tert-butyl 6-cyano-5-ethenylpyridine-3-carboxylate
CID 143940545
tert-butyl 3,5-difluoro-4-hydroxybenzoate
CID 66762061
tert-butyl 3,5-dibromo-4-methylbenzoate
CID 118703544
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalene-2-carboxylic acid
CID 23021695

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate (CID 67027096) is tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate is C=Cc1cc(C(=O)OC(C)(C)C)cc(C=C)n1.
What is the InChIKey of tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate?
The InChIKey is PAXAHJFOKKJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-6-11-8-10(9-12(7-2)15-11)13(16)17-14(3,4)5/h6-9H,1-2H2,3-5H3.
What are the key properties of tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate?
tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-bis(ethenyl)pyridine-4-carboxylate is sourced from PubChem (CID 67027096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).