methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate

C15H11Cl2NO4 — CID 1486008

IUPACmethyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(CC(=O)c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C15H11Cl2NO4/c1-22-15(21)11-3-2-6-18(14(11)20)8-13(19)10-5-4-9(16)7-12(10)17/h2-7H,8H2,1H3
InChIKeyIYNKJWHAKFHMJV-UHFFFAOYSA-N
MW340.16 g/mol
LogP2.82
Rot. Bonds4

About methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate

methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate (PubChem CID 1486008) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate
PubChem CID1486008
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Namemethyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(CC(=O)c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C15H11Cl2NO4/c1-22-15(21)11-3-2-6-18(14(11)20)8-13(19)10-5-4-9(16)7-12(10)17/h2-7H,8H2,1H3
InChIKeyIYNKJWHAKFHMJV-UHFFFAOYSA-N
XLogP2.82
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate (CID 1486008) is methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(CC(=O)c2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate?
The InChIKey is IYNKJWHAKFHMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c1-22-15(21)11-3-2-6-18(14(11)20)8-13(19)10-5-4-9(16)7-12(10)17/h2-7H,8H2,1H3.
What are the key properties of methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate?
methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate has a molecular weight of 340.16 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 1486008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).