2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid

C13H19NO5 — CID 104560469

IUPAC2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(OCCOCCOC)n1
InChIInChI=1S/C13H19NO5/c1-3-11-8-10(13(15)16)9-12(14-11)19-7-6-18-5-4-17-2/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyHVCUYMUYFGSYHW-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.38
Rot. Bonds9

About 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid

2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid (PubChem CID 104560469) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
PubChem CID104560469
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(OCCOCCOC)n1
InChIInChI=1S/C13H19NO5/c1-3-11-8-10(13(15)16)9-12(14-11)19-7-6-18-5-4-17-2/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyHVCUYMUYFGSYHW-UHFFFAOYSA-N
XLogP1.38
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560467
4-(chloromethyl)-2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564267
N-[[2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 104566462
2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
CID 113379615
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459
2-propyl-6-(3,3,3-trifluoropropoxy)pyridine-4-carboxylic acid
CID 113379652
2-ethyl-6-(oxolan-3-ylmethoxy)pyridine-4-carboxylic acid
CID 113379634
2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
CID 113379603
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
2-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 122585497
2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
CID 104706888
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid (CID 104560469) is 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(OCCOCCOC)n1.
What is the InChIKey of 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid?
The InChIKey is HVCUYMUYFGSYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-3-11-8-10(13(15)16)9-12(14-11)19-7-6-18-5-4-17-2/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid?
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 104560469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).