methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate

C17H17NO2 — CID 22930998

IUPACmethyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate
SMILESC=Cc1ccc(-c2cccc(C(=O)OC)n2)cc1CC
InChIInChI=1S/C17H17NO2/c1-4-12-9-10-14(11-13(12)5-2)15-7-6-8-16(18-15)17(19)20-3/h4,6-11H,1,5H2,2-3H3
InChIKeyMQVBMBQKXCJKMU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.74
Rot. Bonds4

About methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate

methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate (PubChem CID 22930998) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate
PubChem CID22930998
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate
SMILESC=Cc1ccc(-c2cccc(C(=O)OC)n2)cc1CC
InChIInChI=1S/C17H17NO2/c1-4-12-9-10-14(11-13(12)5-2)15-7-6-8-16(18-15)17(19)20-3/h4,6-11H,1,5H2,2-3H3
InChIKeyMQVBMBQKXCJKMU-UHFFFAOYSA-N
XLogP3.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate (CID 22930998) is methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate is C=Cc1ccc(-c2cccc(C(=O)OC)n2)cc1CC.
What is the InChIKey of methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate?
The InChIKey is MQVBMBQKXCJKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-12-9-10-14(11-13(12)5-2)15-7-6-8-16(18-15)17(19)20-3/h4,6-11H,1,5H2,2-3H3.
What are the key properties of methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate?
methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-ethenyl-3-ethylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 22930998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).