2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid

C15H15NO4 — CID 82517496

IUPAC2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1ccc(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H15NO4/c1-9-3-6-13(20-2)11(7-9)12-5-4-10(8-14(17)18)15(19)16-12/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQXFBZIHTOQOPLO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.99
Rot. Bonds4

About 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid

2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 82517496) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID82517496
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1ccc(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C15H15NO4/c1-9-3-6-13(20-2)11(7-9)12-5-4-10(8-14(17)18)15(19)16-12/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQXFBZIHTOQOPLO-UHFFFAOYSA-N
XLogP1.99
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]-2-oxo-1H-pyridin-3-yl]acetic acid
CID 70067324
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881469
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517389
2-[[5-(2-methoxy-5-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
CID 28899557
3-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446366
3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82121422
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid (CID 82517496) is 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid is COc1ccc(C)cc1-c1ccc(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is QXFBZIHTOQOPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-3-6-13(20-2)11(7-9)12-5-4-10(8-14(17)18)15(19)16-12/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 82517496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).