dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

C19H22ClNO5 — CID 102146845

IUPACdimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(CCO)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO5/c1-11-15(18(23)25-3)17(13-5-7-14(20)8-6-13)16(19(24)26-4)12(2)21(11)9-10-22/h5-8,17,22H,9-10H2,1-4H3
InChIKeyFQYLIULMHRARKX-UHFFFAOYSA-N
MW379.84 g/mol
LogP2.63
Rot. Bonds5

About dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate

dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 102146845) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
PubChem CID102146845
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC Namedimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(CCO)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO5/c1-11-15(18(23)25-3)17(13-5-7-14(20)8-6-13)16(19(24)26-4)12(2)21(11)9-10-22/h5-8,17,22H,9-10H2,1-4H3
InChIKeyFQYLIULMHRARKX-UHFFFAOYSA-N
XLogP2.63
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 7-(4-chlorophenyl)-5-methyl-1,2,3,7-tetrahydroindolizine-6,8-dicarboxylate
CID 23212969
dimethyl 2,6-dimethyl-4-(4-methylphenyl)-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate
CID 14721225
methyl (6S)-6-(4-chlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694303
methyl 4-(4-chlorophenyl)-1,3,6-trimethyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
CID 139237803
methyl (6S)-6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 803222
methyl 6-(4-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2855527
4-[(6R)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate
CID 8649670
methyl (6R)-6-(4-chlorophenyl)-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate
CID 40699241
dimethyl 1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2167221
dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2948981
ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
CID 102130026
6-O-ethyl 8-O-methyl (2S,7R)-5-amino-7-(4-chlorophenyl)-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 1264098

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate (CID 102146845) is dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(CCO)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1.
What is the InChIKey of dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is FQYLIULMHRARKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO5/c1-11-15(18(23)25-3)17(13-5-7-14(20)8-6-13)16(19(24)26-4)12(2)21(11)9-10-22/h5-8,17,22H,9-10H2,1-4H3.
What are the key properties of dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 379.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-chlorophenyl)-1-(2-hydroxyethyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 102146845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).