ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate

C17H19NO2 — CID 116532844

IUPACethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(C)c2)nc1CC
InChIInChI=1S/C17H19NO2/c1-4-15-14(17(19)20-5-2)9-10-16(18-15)13-8-6-7-12(3)11-13/h6-11H,4-5H2,1-3H3
InChIKeyBWYNXERMJSVKGP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.80
Rot. Bonds4

About ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate

ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate (PubChem CID 116532844) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
PubChem CID116532844
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cccc(C)c2)nc1CC
InChIInChI=1S/C17H19NO2/c1-4-15-14(17(19)20-5-2)9-10-16(18-15)13-8-6-7-12(3)11-13/h6-11H,4-5H2,1-3H3
InChIKeyBWYNXERMJSVKGP-UHFFFAOYSA-N
XLogP3.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate (CID 116532844) is ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cccc(C)c2)nc1CC.
What is the InChIKey of ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate?
The InChIKey is BWYNXERMJSVKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-15-14(17(19)20-5-2)9-10-16(18-15)13-8-6-7-12(3)11-13/h6-11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate?
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 116532844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).