ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate

C19H17NO2S — CID 134940968

IUPACethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)s2)c(-c2ccccc2)cn1
InChIInChI=1S/C19H17NO2S/c1-3-22-19(21)17-11-15(18-10-9-13(2)23-18)16(12-20-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyGBJFFWPIBRIMMM-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.96
Rot. Bonds4

About ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate

ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate (PubChem CID 134940968) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate
PubChem CID134940968
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Nameethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)s2)c(-c2ccccc2)cn1
InChIInChI=1S/C19H17NO2S/c1-3-22-19(21)17-11-15(18-10-9-13(2)23-18)16(12-20-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyGBJFFWPIBRIMMM-UHFFFAOYSA-N
XLogP4.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
CID 134840915
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
diethyl 4-[5-[4-[5-[2,6-bis(ethoxycarbonyl)-4-pyridinyl]thiophen-2-yl]phenyl]thiophen-2-yl]pyridine-2,6-dicarboxylate
CID 102149888
ethyl 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylate
CID 175931630
2,5-bis(5-methylthiophen-2-yl)thiophene;ethyl acetate;bis(triphenylphosphane)
CID 91100156
ethyl 5-methyl-4-phenylthiophene-2-carboxylate;5-methyl-4-phenylthiophene-2-carboxylic acid
CID 161205106
ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 171366901
ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 90023168
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 5-(5-methylthiophen-2-yl)imidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200760

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate?
The IUPAC name of ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate (CID 134940968) is ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate is CCOC(=O)c1cc(-c2ccc(C)s2)c(-c2ccccc2)cn1.
What is the InChIKey of ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate?
The InChIKey is GBJFFWPIBRIMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-3-22-19(21)17-11-15(18-10-9-13(2)23-18)16(12-20-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate?
ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate has a molecular weight of 323.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methylthiophen-2-yl)-5-phenylpyridine-2-carboxylate is sourced from PubChem (CID 134940968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).