3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid

C13H12N2O4 — CID 82897733

IUPAC3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCCn1ccccc1=O
InChIInChI=1S/C13H12N2O4/c16-11-5-1-2-7-15(11)8-9-19-10-4-3-6-14-12(10)13(17)18/h1-7H,8-9H2,(H,17,18)
InChIKeyUJGIAIFUOMURMW-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.02
Rot. Bonds5

About 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid

3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid (PubChem CID 82897733) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
PubChem CID82897733
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCCn1ccccc1=O
InChIInChI=1S/C13H12N2O4/c16-11-5-1-2-7-15(11)8-9-19-10-4-3-6-14-12(10)13(17)18/h1-7H,8-9H2,(H,17,18)
InChIKeyUJGIAIFUOMURMW-UHFFFAOYSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82897410
3-(4-carboxybutoxy)pyridine-2-carboxylic acid
CID 69472866
3-[2-(4-fluorophenyl)sulfanylethoxy]pyridine-2-carboxylic acid
CID 61380108
3-[2-(3-methylbutoxy)ethoxy]pyridine-2-carboxylic acid
CID 54956088
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589
2-methyl-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 107671050
1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one
CID 82899377
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid (CID 82897733) is 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCCn1ccccc1=O.
What is the InChIKey of 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid?
The InChIKey is UJGIAIFUOMURMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11-5-1-2-7-15(11)8-9-19-10-4-3-6-14-12(10)13(17)18/h1-7H,8-9H2,(H,17,18).
What are the key properties of 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid?
3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-1-pyridinyl)ethoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 82897733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).