methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate

C16H17NO5 — CID 54693114

IUPACmethyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2ccccc2OC)c1=O
InChIInChI=1S/C16H17NO5/c1-21-14-6-4-3-5-11(14)10-17-8-7-13(18)12(16(17)20)9-15(19)22-2/h3-8,18H,9-10H2,1-2H3
InChIKeyOSKXNQLBKPPGQT-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.33
Rot. Bonds5

About methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate

methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate (PubChem CID 54693114) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate
PubChem CID54693114
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2ccccc2OC)c1=O
InChIInChI=1S/C16H17NO5/c1-21-14-6-4-3-5-11(14)10-17-8-7-13(18)12(16(17)20)9-15(19)22-2/h3-8,18H,9-10H2,1-2H3
InChIKeyOSKXNQLBKPPGQT-UHFFFAOYSA-N
XLogP1.33
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate (CID 54693114) is methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate is COC(=O)Cc1c(O)ccn(Cc2ccccc2OC)c1=O.
What is the InChIKey of methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate?
The InChIKey is OSKXNQLBKPPGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-14-6-4-3-5-11(14)10-17-8-7-13(18)12(16(17)20)9-15(19)22-2/h3-8,18H,9-10H2,1-2H3.
What are the key properties of methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate?
methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate has a molecular weight of 303.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]acetate is sourced from PubChem (CID 54693114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).