2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid

C15H15NO4 — CID 107671050

IUPAC2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
SMILESCc1cc(OCCn2ccccc2=O)ccc1C(=O)O
InChIInChI=1S/C15H15NO4/c1-11-10-12(5-6-13(11)15(18)19)20-9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyLIMYHBBFOXFWHD-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.93
Rot. Bonds5

About 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid

2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid (PubChem CID 107671050) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
PubChem CID107671050
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
SMILESCc1cc(OCCn2ccccc2=O)ccc1C(=O)O
InChIInChI=1S/C15H15NO4/c1-11-10-12(5-6-13(11)15(18)19)20-9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyLIMYHBBFOXFWHD-UHFFFAOYSA-N
XLogP1.93
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485
1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one
CID 82898830
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
CID 107671163
3,5-dimethyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzaldehyde
CID 82896972
3-methyl-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114485600
1-[2-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]oxy]ethyl]pyridin-2-one
CID 107684371
N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107656907
3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
CID 82897733
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid?
The IUPAC name of 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid (CID 107671050) is 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid.
What is the SMILES notation for 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid?
The canonical SMILES for 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid is Cc1cc(OCCn2ccccc2=O)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid?
The InChIKey is LIMYHBBFOXFWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11-10-12(5-6-13(11)15(18)19)20-9-8-16-7-3-2-4-14(16)17/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid?
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid is sourced from PubChem (CID 107671050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).