2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid

C11H15NO4 — CID 106453909

IUPAC2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid
SMILESCCCOCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO4/c1-2-6-16-7-5-12-4-3-9(11(14)15)8-10(12)13/h3-4,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyQOMVWVJAWVWDBD-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.97
Rot. Bonds6

About 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid

2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid (PubChem CID 106453909) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid
PubChem CID106453909
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid
SMILESCCCOCCn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C11H15NO4/c1-2-6-16-7-5-12-4-3-9(11(14)15)8-10(12)13/h3-4,8H,2,5-7H2,1H3,(H,14,15)
InChIKeyQOMVWVJAWVWDBD-UHFFFAOYSA-N
XLogP0.97
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-oxopyridine-4-carboxylic acid
CID 82901807
1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
CID 44600577
1-(5-hydroxypentyl)-2-oxopyridine-4-carboxylic acid
CID 82901975
1-[2-(3-methylbutoxy)ethyl]indole-6-carboxylic acid
CID 63748611
2-(1-butyl-2-oxo-4-pyridinyl)prop-2-enoic acid
CID 70481005
1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856
2-oxo-1-prop-2-ynylpyridine-4-carboxylic acid
CID 82902412
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
1-(2-carboxyprop-2-enyl)-2-oxopyridine-4-carboxylic acid
CID 46868566
1-(2-chloroprop-2-enyl)-2-oxopyridine-4-carboxylic acid
CID 82903725

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid (CID 106453909) is 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid is CCCOCCn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid?
The InChIKey is QOMVWVJAWVWDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-6-16-7-5-12-4-3-9(11(14)15)8-10(12)13/h3-4,8H,2,5-7H2,1H3,(H,14,15).
What are the key properties of 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid?
2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-propoxyethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 106453909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).