2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid

C15H23NO3 — CID 63514366

IUPAC2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
SMILESCCCCC(CC)COc1nc(C)ccc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-6-7-12(5-2)10-19-14-13(15(17)18)9-8-11(3)16-14/h8-9,12H,4-7,10H2,1-3H3,(H,17,18)
InChIKeySBDSENOWKVGUSJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.68
Rot. Bonds8

About 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid

2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid (PubChem CID 63514366) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
PubChem CID63514366
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
SMILESCCCCC(CC)COc1nc(C)ccc1C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-6-7-12(5-2)10-19-14-13(15(17)18)9-8-11(3)16-14/h8-9,12H,4-7,10H2,1-3H3,(H,17,18)
InChIKeySBDSENOWKVGUSJ-UHFFFAOYSA-N
XLogP3.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
CID 105379977
5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
CID 114408651
2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid
CID 62702093
2-(2-ethylhexoxy)-3,4-bis(2-ethylhexyl)benzoic acid
CID 174999561
4-(2-ethylhexoxycarbonyl)benzene-1,2,3-tricarboxylic acid
CID 141451805
2,3,4-tris(2-ethylhexoxycarbonyl)benzoic acid
CID 141011156
5-amino-2-(2-ethylhexoxy)benzoic acid
CID 54888104
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
2-(2-ethylhexoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176560
ethanol;2-(2-ethylhexoxycarbonyl)benzoic acid
CID 175410629
1-[3-(2-ethylhexoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79165128
benzene-1,2,4-tricarboxylic acid;bis(2-ethylhexyl) benzene-1,4-dicarboxylate
CID 174956953

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid (CID 63514366) is 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid is CCCCC(CC)COc1nc(C)ccc1C(=O)O.
What is the InChIKey of 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid?
The InChIKey is SBDSENOWKVGUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-7-12(5-2)10-19-14-13(15(17)18)9-8-11(3)16-14/h8-9,12H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid?
2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 63514366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).