diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate

C19H20ClNO4 — CID 122366670

IUPACdiethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)c(C(=O)OCC)c1C
InChIInChI=1S/C19H20ClNO4/c1-5-24-18(22)15-11(3)16(19(23)25-6-2)17(21-12(15)4)13-7-9-14(20)10-8-13/h7-10H,5-6H2,1-4H3
InChIKeyQRBBKXGADBARPY-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.37
Rot. Bonds5

About diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate

diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate (PubChem CID 122366670) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
PubChem CID122366670
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namediethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)c(C(=O)OCC)c1C
InChIInChI=1S/C19H20ClNO4/c1-5-24-18(22)15-11(3)16(19(23)25-6-2)17(21-12(15)4)13-7-9-14(20)10-8-13/h7-10H,5-6H2,1-4H3
InChIKeyQRBBKXGADBARPY-UHFFFAOYSA-N
XLogP4.37
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282
ethyl 4-(4-chlorophenyl)-6-methyl-2-(4-methylphenyl)sulfanylpyrimidine-5-carboxylate
CID 134843538
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 5,6-bis(4-chlorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxylate
CID 69142158
ethyl 4-(4-chlorophenyl)-6-methyl-2-morpholin-4-ylsulfanylpyrimidine-5-carboxylate
CID 102102483
ethyl 4-(4-chlorophenyl)-6-methyl-2-(4-phenyltriazol-1-yl)pyrimidine-5-carboxylate
CID 139227987
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 2-bromo-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 39732279
diethyl 3-(4-chlorophenyl)naphtho[2,3-f]quinoline-1,2-dicarboxylate
CID 139217700
ethyl 6-(4-chlorophenyl)-5-cyano-2-methylpyridine-3-carboxylate
CID 123633376
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate (CID 122366670) is diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(-c2ccc(Cl)cc2)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate?
The InChIKey is QRBBKXGADBARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-5-24-18(22)15-11(3)16(19(23)25-6-2)17(21-12(15)4)13-7-9-14(20)10-8-13/h7-10H,5-6H2,1-4H3.
What are the key properties of diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate?
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate has a molecular weight of 361.83 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 122366670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).