ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate

C18H15NO3 — CID 50924647

IUPACethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccco2)cc1-c1ccccc1
InChIInChI=1S/C18H15NO3/c1-2-21-18(20)15-12-19-16(17-9-6-10-22-17)11-14(15)13-7-4-3-5-8-13/h3-12H,2H2,1H3
InChIKeyWHGDAOHKKQVGGZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.19
Rot. Bonds4

About ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate

ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate (PubChem CID 50924647) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
PubChem CID50924647
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccco2)cc1-c1ccccc1
InChIInChI=1S/C18H15NO3/c1-2-21-18(20)15-12-19-16(17-9-6-10-22-17)11-14(15)13-7-4-3-5-8-13/h3-12H,2H2,1H3
InChIKeyWHGDAOHKKQVGGZ-UHFFFAOYSA-N
XLogP4.19
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
CID 1379341
ethyl 5-(benzylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CID 118707862
ethyl 4-(diethylamino)-2-(furan-2-yl)pyrimidine-5-carboxylate
CID 59517794
[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2468808
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate
CID 102202438
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 784776
ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 59517674
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate (CID 50924647) is ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate is CCOC(=O)c1cnc(-c2ccco2)cc1-c1ccccc1.
What is the InChIKey of ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate?
The InChIKey is WHGDAOHKKQVGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-21-18(20)15-12-19-16(17-9-6-10-22-17)11-14(15)13-7-4-3-5-8-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate?
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 50924647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).