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

C15H12ClNO4 — CID 67367655

IUPACmethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate
SMILESCOC(=O)c1cccc(=O)n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO4/c1-21-15(20)12-3-2-4-14(19)17(12)9-13(18)10-5-7-11(16)8-6-10/h2-8H,9H2,1H3
InChIKeyDTWODKVPPUMDQI-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.17
Rot. Bonds4

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

methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate (PubChem CID 67367655) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate
PubChem CID67367655
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Namemethyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate
SMILESCOC(=O)c1cccc(=O)n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO4/c1-21-15(20)12-3-2-4-14(19)17(12)9-13(18)10-5-7-11(16)8-6-10/h2-8H,9H2,1H3
InChIKeyDTWODKVPPUMDQI-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-2-carboxylate?
The IUPAC name of methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate (CID 67367655) is methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate is COC(=O)c1cccc(=O)n1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate?
The InChIKey is DTWODKVPPUMDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-21-15(20)12-3-2-4-14(19)17(12)9-13(18)10-5-7-11(16)8-6-10/h2-8H,9H2,1H3.
What are the key properties of methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-carboxylate?
methyl 1-[2-(4-chlorophenyl)-2-oxoethyl]-6-oxopyridine-2-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-2-carboxylate is sourced from PubChem (CID 67367655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).