5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid

C14H19NO5 — CID 79794520

IUPAC5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
SMILESCCOC(=O)CCCCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19NO5/c1-2-19-13(16)6-4-3-5-9-20-11-7-8-12(14(17)18)15-10-11/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyVWWJFKJINNQZGB-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.28
Rot. Bonds9

About 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid

5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid (PubChem CID 79794520) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
PubChem CID79794520
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
SMILESCCOC(=O)CCCCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19NO5/c1-2-19-13(16)6-4-3-5-9-20-11-7-8-12(14(17)18)15-10-11/h7-8,10H,2-6,9H2,1H3,(H,17,18)
InChIKeyVWWJFKJINNQZGB-UHFFFAOYSA-N
XLogP2.28
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-ethoxy-4-oxobutoxy)pyridine-2-carboxylic acid
CID 156739390
ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate
CID 79776365
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid
CID 59683870
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
CID 24727585
ethyl 6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]hexanoate
CID 177166236

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid (CID 79794520) is 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid is CCOC(=O)CCCCCOc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid?
The InChIKey is VWWJFKJINNQZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-2-19-13(16)6-4-3-5-9-20-11-7-8-12(14(17)18)15-10-11/h7-8,10H,2-6,9H2,1H3,(H,17,18).
What are the key properties of 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid?
5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 79794520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).