2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid

C12H15NO4 — CID 81052926

IUPAC2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid
SMILESCc1cc(OC2CCOC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C12H15NO4/c1-7-5-10(17-9-3-4-16-6-9)11(12(14)15)8(2)13-7/h5,9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyIEBILRZEWLCQHS-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.56
Rot. Bonds3

About 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid

2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid (PubChem CID 81052926) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid
PubChem CID81052926
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid
SMILESCc1cc(OC2CCOC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C12H15NO4/c1-7-5-10(17-9-3-4-16-6-9)11(12(14)15)8(2)13-7/h5,9H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyIEBILRZEWLCQHS-UHFFFAOYSA-N
XLogP1.56
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4-dimethylcyclohexyl)oxy-2,6-dimethylpyridine-3-carboxylic acid
CID 114342617
4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid
CID 81053389
6-(oxolan-3-yloxy)-1,3-benzodioxole-5-carboxylic acid
CID 63558366
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
4-(4,4-dimethylcyclohexyl)oxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 114341143
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbothioamide
CID 107548634
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
2-(oxolan-3-yloxy)-6-propylpyridine-4-carboxylic acid
CID 113379638
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
CID 107545937
2-amino-3-(oxolan-3-yloxy)benzoic acid
CID 115547271

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid (CID 81052926) is 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid is Cc1cc(OC2CCOC2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid?
The InChIKey is IEBILRZEWLCQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-5-10(17-9-3-4-16-6-9)11(12(14)15)8(2)13-7/h5,9H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(oxolan-3-yloxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 81052926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).