4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid

C15H21NO3 — CID 81226169

IUPAC4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid
SMILESCCC1CCCC(Oc2cc(C)ncc2C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-3-11-5-4-6-12(8-11)19-14-7-10(2)16-9-13(14)15(17)18/h7,9,11-12H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyJPOKKXHMPAOLKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.44
Rot. Bonds4

About 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid

4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid (PubChem CID 81226169) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid
PubChem CID81226169
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid
SMILESCCC1CCCC(Oc2cc(C)ncc2C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-3-11-5-4-6-12(8-11)19-14-7-10(2)16-9-13(14)15(17)18/h7,9,11-12H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyJPOKKXHMPAOLKX-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-ethylcyclohexyl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81250323
5-(chloromethyl)-4-(3-ethylcyclohexyl)oxy-2-methylpyridine
CID 81233966
3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 82827360
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde
CID 79157029
[6-methyl-4-(3-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 81237044
3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 81445886
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
5-[(3-ethylcyclohexyl)oxymethyl]-1-methylpyrazole-4-carboxylic acid
CID 116629783
4-(1-ethoxypropan-2-yloxy)-6-methylpyridine-3-carboxylic acid
CID 103487183

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid (CID 81226169) is 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid is CCC1CCCC(Oc2cc(C)ncc2C(=O)O)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid?
The InChIKey is JPOKKXHMPAOLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-11-5-4-6-12(8-11)19-14-7-10(2)16-9-13(14)15(17)18/h7,9,11-12H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid?
4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81226169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).