methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate

C14H13NO5 — CID 54679346

IUPACmethyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c(OC)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H13NO5/c1-19-12-10(8-6-4-3-5-7-8)15-13(17)9(11(12)16)14(18)20-2/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyYOUUQAYSEBNOBG-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.54
Rot. Bonds3

About methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate

methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate (PubChem CID 54679346) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
PubChem CID54679346
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Namemethyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c(OC)c(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H13NO5/c1-19-12-10(8-6-4-3-5-7-8)15-13(17)9(11(12)16)14(18)20-2/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyYOUUQAYSEBNOBG-UHFFFAOYSA-N
XLogP1.54
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate (CID 54679346) is methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate is COC(=O)c1c(O)c(OC)c(-c2ccccc2)[nH]c1=O.
What is the InChIKey of methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is YOUUQAYSEBNOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-12-10(8-6-4-3-5-7-8)15-13(17)9(11(12)16)14(18)20-2/h3-7H,1-2H3,(H2,15,16,17).
What are the key properties of methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-methoxy-2-oxo-6-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54679346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).