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

C15H23NO5 — CID 104560467

IUPAC2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
SMILESCOCCOCCOc1cc(C(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C15H23NO5/c1-15(2,3)12-9-11(14(17)18)10-13(16-12)21-8-7-20-6-5-19-4/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyHNISLUGEVJEQSH-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.12
Rot. Bonds8

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

2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid (PubChem CID 104560467) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
PubChem CID104560467
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
SMILESCOCCOCCOc1cc(C(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C15H23NO5/c1-15(2,3)12-9-11(14(17)18)10-13(16-12)21-8-7-20-6-5-19-4/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyHNISLUGEVJEQSH-UHFFFAOYSA-N
XLogP2.12
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.12
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-(3-methylbutoxy)pyridine-4-carboxylic acid
CID 113379610
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-tert-butyl-4-(chloromethyl)-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104564258
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459
2-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 122585497
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247
2-tert-butyl-6-methylsulfanylpyridine-4-carboxylic acid
CID 84690011
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
3-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564096
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
2-tert-butyl-5-(2-methoxyethoxy)pyrazine
CID 135302140

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid (CID 104560467) is 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid is COCCOCCOc1cc(C(=O)O)cc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid?
The InChIKey is HNISLUGEVJEQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-15(2,3)12-9-11(14(17)18)10-13(16-12)21-8-7-20-6-5-19-4/h9-10H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid?
2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 104560467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).