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

C18H20ClNO5 — CID 2052604

IUPACdimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOCCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1
InChIInChI=1S/C18H20ClNO5/c1-23-9-8-20-10-14(17(21)24-2)16(15(11-20)18(22)25-3)12-4-6-13(19)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyYIXFNDKDMFPVQV-UHFFFAOYSA-N
MW365.81 g/mol
LogP2.50
Rot. Bonds6

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

dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 2052604) has the molecular formula C18H20ClNO5 and a molecular weight of 365.81 g/mol. Its IUPAC name is dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID2052604
Molecular FormulaC18H20ClNO5
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC Namedimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOCCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1
InChIInChI=1S/C18H20ClNO5/c1-23-9-8-20-10-14(17(21)24-2)16(15(11-20)18(22)25-3)12-4-6-13(19)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyYIXFNDKDMFPVQV-UHFFFAOYSA-N
XLogP2.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate (CID 2052604) is dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate is COCCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is YIXFNDKDMFPVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5/c1-23-9-8-20-10-14(17(21)24-2)16(15(11-20)18(22)25-3)12-4-6-13(19)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 365.81 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2052604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).