ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate

C16H15Cl2NO4 — CID 54707938

IUPACethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C16H15Cl2NO4/c1-2-23-15(21)9-19-6-5-14(20)12(16(19)22)7-10-3-4-11(17)8-13(10)18/h3-6,8,20H,2,7,9H2,1H3
InChIKeyAOLWLLVYCTZIKP-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.01
Rot. Bonds5

About ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate (PubChem CID 54707938) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate
PubChem CID54707938
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Nameethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C16H15Cl2NO4/c1-2-23-15(21)9-19-6-5-14(20)12(16(19)22)7-10-3-4-11(17)8-13(10)18/h3-6,8,20H,2,7,9H2,1H3
InChIKeyAOLWLLVYCTZIKP-UHFFFAOYSA-N
XLogP3.01
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate (CID 54707938) is ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate?
The InChIKey is AOLWLLVYCTZIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-2-23-15(21)9-19-6-5-14(20)12(16(19)22)7-10-3-4-11(17)8-13(10)18/h3-6,8,20H,2,7,9H2,1H3.
What are the key properties of ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate has a molecular weight of 356.21 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 54707938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).