1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid

C10H13NO5 — CID 61071803

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCOCCO)c1
InChIInChI=1S/C10H13NO5/c12-4-6-16-5-3-11-7-8(10(14)15)1-2-9(11)13/h1-2,7,12H,3-6H2,(H,14,15)
InChIKeyWNYSLINJULJMKW-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.44
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid

1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 61071803) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID61071803
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCOCCO)c1
InChIInChI=1S/C10H13NO5/c12-4-6-16-5-3-11-7-8(10(14)15)1-2-9(11)13/h1-2,7,12H,3-6H2,(H,14,15)
InChIKeyWNYSLINJULJMKW-UHFFFAOYSA-N
XLogP-0.44
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
CID 113464125
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
CID 30056609
1-(3-methoxy-3-methylbutyl)-6-oxopyridine-3-carboxylic acid
CID 103034230
6-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxylic acid
CID 115514358
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
CID 63892934
2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate
CID 157279643
2-[2-(2-hydroxyethoxy)ethyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 82163493
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-(2-hydroxyethoxy)ethanol;bis(prop-2-enoic acid);terephthalic acid
CID 175831350
1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 55140850
6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid
CID 55173678

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid (CID 61071803) is 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CCOCCO)c1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is WNYSLINJULJMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c12-4-6-16-5-3-11-7-8(10(14)15)1-2-9(11)13/h1-2,7,12H,3-6H2,(H,14,15).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 61071803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).