6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid

C16H17NO4 — CID 82099746

IUPAC6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(=O)n2CCO)cc1C
InChIInChI=1S/C16H17NO4/c1-10-3-4-12(9-11(10)2)14-6-5-13(16(20)21)15(19)17(14)7-8-18/h3-6,9,18H,7-8H2,1-2H3,(H,20,21)
InChIKeyDFAYNANGULZSQV-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.82
Rot. Bonds4

About 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid

6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 82099746) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID82099746
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(=O)n2CCO)cc1C
InChIInChI=1S/C16H17NO4/c1-10-3-4-12(9-11(10)2)14-6-5-13(16(20)21)15(19)17(14)7-8-18/h3-6,9,18H,7-8H2,1-2H3,(H,20,21)
InChIKeyDFAYNANGULZSQV-UHFFFAOYSA-N
XLogP1.82
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
5-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82089802
6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82100029
3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
CID 82520107
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carbonitrile
CID 82099092
5-(3,4-dimethylphenyl)-1-ethyl-2-methylpyrrole-3-carboxylic acid
CID 82089263
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726
5-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)pyrrole-2-carboxylic acid
CID 82091128
3-acetyl-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520130
6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82100024
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
6-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099715

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid (CID 82099746) is 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)c(=O)n2CCO)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is DFAYNANGULZSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-3-4-12(9-11(10)2)14-6-5-13(16(20)21)15(19)17(14)7-8-18/h3-6,9,18H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid?
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82099746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).