4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid

C15H23NO3 — CID 63884393

IUPAC4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid
SMILESCCCCC(CC)COCc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-3-5-6-12(4-2)10-19-11-13-7-8-16-14(9-13)15(17)18/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyMKNYUQAEALPWDJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.51
Rot. Bonds9

About 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid

4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid (PubChem CID 63884393) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid
PubChem CID63884393
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid
SMILESCCCCC(CC)COCc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-3-5-6-12(4-2)10-19-11-13-7-8-16-14(9-13)15(17)18/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyMKNYUQAEALPWDJ-UHFFFAOYSA-N
XLogP3.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-ethylhexoxymethyl)-2-pyridinyl]hydrazine
CID 62464671
4-(2-ethylhexylcarbamoyl)pyridine-2-carboxylic acid
CID 103790246
4-docosylpyridine-2-carboxylic acid
CID 174759337
3-[4-(2-ethylhexoxymethyl)phenyl]prop-2-enoic acid
CID 76996157
N-[[3-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490215
4-[(dibutylamino)methyl]pyridine-2-carboxylic acid
CID 63880878
N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63491260
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
2-(2-ethylhexoxy)-3-fluoropyridine-4-carboxylic acid
CID 105379977
5-amino-6-(2-ethylhexoxy)pyridine-2-carboxylic acid
CID 114408651
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406
1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
CID 134220783

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid (CID 63884393) is 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid is CCCCC(CC)COCc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid?
The InChIKey is MKNYUQAEALPWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-5-6-12(4-2)10-19-11-13-7-8-16-14(9-13)15(17)18/h7-9,12H,3-6,10-11H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid?
4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63884393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).