5-(2-ethoxyethoxy)pyridine-2-carboxylic acid

C10H13NO4 — CID 23467190

IUPAC5-(2-ethoxyethoxy)pyridine-2-carboxylic acid
SMILESCCOCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13NO4/c1-2-14-5-6-15-8-3-4-9(10(12)13)11-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyDORQQUCEZJKKKZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.20
Rot. Bonds6

About 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid

5-(2-ethoxyethoxy)pyridine-2-carboxylic acid (PubChem CID 23467190) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)pyridine-2-carboxylic acid
PubChem CID23467190
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-(2-ethoxyethoxy)pyridine-2-carboxylic acid
SMILESCCOCCOc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13NO4/c1-2-14-5-6-15-8-3-4-9(10(12)13)11-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyDORQQUCEZJKKKZ-UHFFFAOYSA-N
XLogP1.20
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid (CID 23467190) is 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid is CCOCCOc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid?
The InChIKey is DORQQUCEZJKKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-14-5-6-15-8-3-4-9(10(12)13)11-7-8/h3-4,7H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid?
5-(2-ethoxyethoxy)pyridine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 23467190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).