4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid

C14H21NO4 — CID 106668269

IUPAC4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCOC(C)(C)CCOc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H21NO4/c1-9-8-11(12(13(16)17)10(2)15-9)19-7-6-14(3,4)18-5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyWAEZFPJXMNKWNX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.59
Rot. Bonds6

About 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid

4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 106668269) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID106668269
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCOC(C)(C)CCOc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H21NO4/c1-9-8-11(12(13(16)17)10(2)15-9)19-7-6-14(3,4)18-5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyWAEZFPJXMNKWNX-UHFFFAOYSA-N
XLogP2.59
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-pentoxypyridine-3-carboxylic acid
CID 81053245
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboxylic acid
CID 81037807
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidine-5-carboxylic acid
CID 106665179
2-chloro-6-methyl-4-propoxypyridine-3-carboxylic acid
CID 87496679
5-amino-6-(3-methoxy-3-methylbutoxy)pyridine-2-carboxylic acid
CID 106666355
[4-(3,3-dimethylbutoxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81050407
5-amino-2-fluoro-4-(3-methoxy-3-methylbutoxy)benzoic acid
CID 106664884
2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid
CID 107555073
2-(3-methoxy-3-methylbutoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 106668273
1-[4-bromo-2-(3-methoxy-3-methylbutoxy)phenyl]ethanone
CID 103033790
4-cyclopentyloxy-2,6-dimethylpyridine-3-carboxylic acid
CID 81053389

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid (CID 106668269) is 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid is COC(C)(C)CCOc1cc(C)nc(C)c1C(=O)O.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is WAEZFPJXMNKWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-8-11(12(13(16)17)10(2)15-9)19-7-6-14(3,4)18-5/h8H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid?
4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 106668269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).