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

C13H11NO4 — CID 12784931

IUPAC6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCOc1ccccc1-c1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C13H11NO4/c1-18-12-5-3-2-4-9(12)10-6-8(15)7-11(14-10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyVYJNDZURJUOFNK-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.75
Rot. Bonds3

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

6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 12784931) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID12784931
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCOc1ccccc1-c1cc(=O)cc(C(=O)O)[nH]1
InChIInChI=1S/C13H11NO4/c1-18-12-5-3-2-4-9(12)10-6-8(15)7-11(14-10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyVYJNDZURJUOFNK-UHFFFAOYSA-N
XLogP1.75
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid (CID 12784931) is 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid is COc1ccccc1-c1cc(=O)cc(C(=O)O)[nH]1.
What is the InChIKey of 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is VYJNDZURJUOFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-18-12-5-3-2-4-9(12)10-6-8(15)7-11(14-10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid?
6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 12784931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).