methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate

C15H12ClNO4 — CID 1486004

IUPACmethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClNO4/c1-21-15(20)11-4-7-14(19)17(8-11)9-13(18)10-2-5-12(16)6-3-10/h2-8H,9H2,1H3
InChIKeyOSYSNQCTIKZGEA-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.17
Rot. Bonds4

About methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 1486004) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID1486004
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Namemethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClNO4/c1-21-15(20)11-4-7-14(19)17(8-11)9-13(18)10-2-5-12(16)6-3-10/h2-8H,9H2,1H3
InChIKeyOSYSNQCTIKZGEA-UHFFFAOYSA-N
XLogP2.17
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 1486004) is methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is OSYSNQCTIKZGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-21-15(20)11-4-7-14(19)17(8-11)9-13(18)10-2-5-12(16)6-3-10/h2-8H,9H2,1H3.
What are the key properties of methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 1486004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).