1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid

C9H11NO4 — CID 22754326

IUPAC1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESCOCCn1cccc(C(=O)O)c1=O
InChIInChI=1S/C9H11NO4/c1-14-6-5-10-4-2-3-7(8(10)11)9(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyDYTSLVNBEBOIGG-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.19
Rot. Bonds4

About 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid

1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 22754326) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID22754326
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESCOCCn1cccc(C(=O)O)c1=O
InChIInChI=1S/C9H11NO4/c1-14-6-5-10-4-2-3-7(8(10)11)9(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyDYTSLVNBEBOIGG-UHFFFAOYSA-N
XLogP0.19
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Tert-butoxy)-2-oxoethyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 70325949
1-Ethyl-2-oxopyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 118949022
1-Fluoro-9-methoxy-4-oxoquinolizine-3-carboxylic acid
CID 141941271
2-Oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 2763481
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carboxylic acid
CID 21789705
2-Oxo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxylic acid
CID 61718376
2-Oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid
CID 61720493
6-Methyl-2-oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid
CID 62876363
2-Oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-3-carboxylic acid
CID 65805444
6-Methyl-2-oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-3-carboxylic acid
CID 65805870
1-(2-Fluoroethyl)-2-oxopyridine-3-carboxylic acid
CID 80694440
1-(3-Fluoropropyl)-2-oxopyridine-3-carboxylic acid
CID 81114692

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid (CID 22754326) is 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid is COCCn1cccc(C(=O)O)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is DYTSLVNBEBOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-14-6-5-10-4-2-3-7(8(10)11)9(12)13/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 22754326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).