ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate

C15H17NO3 — CID 116532867

IUPACethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(-c2ccco2)nc1CC
InChIInChI=1S/C15H17NO3/c1-4-12-11(15(17)18-5-2)9-10(3)14(16-12)13-7-6-8-19-13/h6-9H,4-5H2,1-3H3
InChIKeyRYRJEJHRWVXRPB-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.39
Rot. Bonds4

About ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate

ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate (PubChem CID 116532867) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
PubChem CID116532867
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(-c2ccco2)nc1CC
InChIInChI=1S/C15H17NO3/c1-4-12-11(15(17)18-5-2)9-10(3)14(16-12)13-7-6-8-19-13/h6-9H,4-5H2,1-3H3
InChIKeyRYRJEJHRWVXRPB-UHFFFAOYSA-N
XLogP3.39
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate (CID 116532867) is ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate is CCOC(=O)c1cc(C)c(-c2ccco2)nc1CC.
What is the InChIKey of ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate?
The InChIKey is RYRJEJHRWVXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-12-11(15(17)18-5-2)9-10(3)14(16-12)13-7-6-8-19-13/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate?
ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 116532867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).