2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid

C11H15NO3 — CID 62702093

IUPAC2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid
SMILESCCC(C)Oc1nc(C)ccc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-4-8(3)15-10-9(11(13)14)6-5-7(2)12-10/h5-6,8H,4H2,1-3H3,(H,13,14)
InChIKeyXSUHZYGYZFXJPE-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.27
Rot. Bonds4

About 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid

2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid (PubChem CID 62702093) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid
PubChem CID62702093
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid
SMILESCCC(C)Oc1nc(C)ccc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-4-8(3)15-10-9(11(13)14)6-5-7(2)12-10/h5-6,8H,4H2,1-3H3,(H,13,14)
InChIKeyXSUHZYGYZFXJPE-UHFFFAOYSA-N
XLogP2.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-yloxy-6-methylpyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid (CID 62702093) is 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid is CCC(C)Oc1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid?
The InChIKey is XSUHZYGYZFXJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-8(3)15-10-9(11(13)14)6-5-7(2)12-10/h5-6,8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid?
2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62702093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).