2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate

C16H16ClNO4 — CID 86865800

IUPAC2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate
SMILESO=C(COCc1ccccc1Cl)OCCn1ccccc1=O
InChIInChI=1S/C16H16ClNO4/c17-14-6-2-1-5-13(14)11-21-12-16(20)22-10-9-18-8-4-3-7-15(18)19/h1-8H,9-12H2
InChIKeyUVPZBYCLXODFSN-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.26
Rot. Bonds7

About 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate

2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate (PubChem CID 86865800) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate
PubChem CID86865800
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate
SMILESO=C(COCc1ccccc1Cl)OCCn1ccccc1=O
InChIInChI=1S/C16H16ClNO4/c17-14-6-2-1-5-13(14)11-21-12-16(20)22-10-9-18-8-4-3-7-15(18)19/h1-8H,9-12H2
InChIKeyUVPZBYCLXODFSN-UHFFFAOYSA-N
XLogP2.26
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate?
The IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate (CID 86865800) is 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate is O=C(COCc1ccccc1Cl)OCCn1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate?
The InChIKey is UVPZBYCLXODFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c17-14-6-2-1-5-13(14)11-21-12-16(20)22-10-9-18-8-4-3-7-15(18)19/h1-8H,9-12H2.
What are the key properties of 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate?
2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate has a molecular weight of 321.76 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)ethyl 2-[(2-chlorophenyl)methoxy]acetate is sourced from PubChem (CID 86865800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).