5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid

C13H11NO4 — CID 117222147

IUPAC5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCn1cc(-c2ccccc2O)cc(C(=O)O)c1=O
InChIInChI=1S/C13H11NO4/c1-14-7-8(6-10(12(14)16)13(17)18)9-4-2-3-5-11(9)15/h2-7,15H,1H3,(H,17,18)
InChIKeyQBZYGGJRAQXMNJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.46
Rot. Bonds2

About 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid

5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 117222147) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID117222147
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCn1cc(-c2ccccc2O)cc(C(=O)O)c1=O
InChIInChI=1S/C13H11NO4/c1-14-7-8(6-10(12(14)16)13(17)18)9-4-2-3-5-11(9)15/h2-7,15H,1H3,(H,17,18)
InChIKeyQBZYGGJRAQXMNJ-UHFFFAOYSA-N
XLogP1.46
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222176
3-acetyl-1-methyl-5-phenylpyridin-2-one
CID 24767090
2-hydroxy-5-(2-methylphenyl)benzoic acid
CID 4192838
1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid
CID 11299201
6,7-dihydroxy-2-methyl-1-oxoisoquinoline-4-carboxylic acid
CID 54392863
3-amino-1-methyl-5-(2-methylphenyl)pyridin-2-one
CID 117222135
2-chloro-5-(2-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222558
oxalic acid;2-phenylphenol
CID 162319962
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489417
1-methylcyclopenta[b]pyridine-5-carboxylic acid
CID 122374341
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid (CID 117222147) is 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid is Cn1cc(-c2ccccc2O)cc(C(=O)O)c1=O.
What is the InChIKey of 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is QBZYGGJRAQXMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-14-7-8(6-10(12(14)16)13(17)18)9-4-2-3-5-11(9)15/h2-7,15H,1H3,(H,17,18).
What are the key properties of 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 117222147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).