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

C17H21NO3 — CID 116533782

IUPACethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(-c2ccco2)nc1C(C)(C)C
InChIInChI=1S/C17H21NO3/c1-6-20-16(19)12-10-11(2)14(13-8-7-9-21-13)18-15(12)17(3,4)5/h7-10H,6H2,1-5H3
InChIKeyRIXJLNOGROSKHX-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.12
Rot. Bonds3

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

ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate (PubChem CID 116533782) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
PubChem CID116533782
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)c(-c2ccco2)nc1C(C)(C)C
InChIInChI=1S/C17H21NO3/c1-6-20-16(19)12-10-11(2)14(13-8-7-9-21-13)18-15(12)17(3,4)5/h7-10H,6H2,1-5H3
InChIKeyRIXJLNOGROSKHX-UHFFFAOYSA-N
XLogP4.12
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116532867
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 2-(furan-2-yl)thiophene-3-carboxylate
CID 10376255
5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate
CID 102202438
ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
CID 1379341
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
CID 50924647
ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate
CID 59517794
ethyl 2-tert-butyl-5-ethylpyridine-3-carboxylate
CID 116533791
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate (CID 116533782) is ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate is CCOC(=O)c1cc(C)c(-c2ccco2)nc1C(C)(C)C.
What is the InChIKey of ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate?
The InChIKey is RIXJLNOGROSKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-6-20-16(19)12-10-11(2)14(13-8-7-9-21-13)18-15(12)17(3,4)5/h7-10H,6H2,1-5H3.
What are the key properties of ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate?
ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 116533782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).