2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid

C15H23NO3 — CID 113379610

IUPAC2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid
SMILESCC(C)CCOc1cc(C(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C15H23NO3/c1-10(2)6-7-19-13-9-11(14(17)18)8-12(16-13)15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeyQCHDJXVHWOCBNM-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.50
Rot. Bonds5

About 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid

2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid (PubChem CID 113379610) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid
PubChem CID113379610
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid
SMILESCC(C)CCOc1cc(C(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C15H23NO3/c1-10(2)6-7-19-13-9-11(14(17)18)8-12(16-13)15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeyQCHDJXVHWOCBNM-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid (CID 113379610) is 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid is CC(C)CCOc1cc(C(=O)O)cc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid?
The InChIKey is QCHDJXVHWOCBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)6-7-19-13-9-11(14(17)18)8-12(16-13)15(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid?
2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3-methylbutoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 113379610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).