ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate

C21H17Cl2NO3 — CID 22159888

IUPACethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)n(C)c(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C21H17Cl2NO3/c1-3-27-21(26)19-18(25)12-17(13-4-8-15(22)9-5-13)24(2)20(19)14-6-10-16(23)11-7-14/h4-12H,3H2,1-2H3
InChIKeyFNYTWORTLBNGON-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.20
Rot. Bonds4

About ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate

ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate (PubChem CID 22159888) has the molecular formula C21H17Cl2NO3 and a molecular weight of 402.28 g/mol. Its IUPAC name is ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
PubChem CID22159888
Molecular FormulaC21H17Cl2NO3
Molecular Weight402.28 g/mol
Exact Mass401.06
IUPAC Nameethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)n(C)c(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C21H17Cl2NO3/c1-3-27-21(26)19-18(25)12-17(13-4-8-15(22)9-5-13)24(2)20(19)14-6-10-16(23)11-7-14/h4-12H,3H2,1-2H3
InChIKeyFNYTWORTLBNGON-UHFFFAOYSA-N
XLogP5.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 102130030
sodium 6-(4-chlorophenyl)-1-methyl-4-oxo-2-propylpyridine-3-carboxylate
CID 23673134
1-methyl-6-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxylic acid
CID 14075377
ethyl 4-(3-bromophenyl)-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylate
CID 71606585
ethyl 2-(4-chlorophenyl)-3-methylimidazole-4-carboxylate
CID 122476726
ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate
CID 170604899
ethyl 1-(2-aminoethyl)-5-(4-chlorophenyl)triazole-4-carboxylate
CID 103105629
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
ethyl 4-(4-chlorophenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 138984790
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
CID 1257583

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate (CID 22159888) is ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)n(C)c(-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate?
The InChIKey is FNYTWORTLBNGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO3/c1-3-27-21(26)19-18(25)12-17(13-4-8-15(22)9-5-13)24(2)20(19)14-6-10-16(23)11-7-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate?
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate has a molecular weight of 402.28 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 22159888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).