3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid

C13H11NO5 — CID 138539180

IUPAC3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCOc1ccccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C13H11NO5/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKeyJMFVWVDXTAZECR-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.45
Rot. Bonds3

About 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid

3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 138539180) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID138539180
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCOc1ccccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
InChIInChI=1S/C13H11NO5/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKeyJMFVWVDXTAZECR-UHFFFAOYSA-N
XLogP1.45
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid (CID 138539180) is 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid is COc1ccccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1.
What is the InChIKey of 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is JMFVWVDXTAZECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 261.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 138539180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).