3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid

C14H19NO3 — CID 81445886

IUPAC3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
SMILESCCC1CCC(Oc2cnccc2C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-2-10-3-5-11(6-4-10)18-13-9-15-8-7-12(13)14(16)17/h7-11H,2-6H2,1H3,(H,16,17)
InChIKeyPDVXVFZDWKVRBY-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.13
Rot. Bonds4

About 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid

3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid (PubChem CID 81445886) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
PubChem CID81445886
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
SMILESCCC1CCC(Oc2cnccc2C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-2-10-3-5-11(6-4-10)18-13-9-15-8-7-12(13)14(16)17/h7-11H,2-6H2,1H3,(H,16,17)
InChIKeyPDVXVFZDWKVRBY-UHFFFAOYSA-N
XLogP3.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
3-cyclopropyloxy-4-prop-1-en-2-ylpyridine
CID 123922640
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 123196855
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid
CID 81445391
3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 112611895
3-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)pyridine-4-carboxylic acid
CID 81445379
3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)pyridine-4-carboxylic acid
CID 81439820
4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid
CID 81226169
N-[[4-(3-ethylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 81250615

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid?
The IUPAC name of 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid (CID 81445886) is 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid is CCC1CCC(Oc2cnccc2C(=O)O)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid?
The InChIKey is PDVXVFZDWKVRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-10-3-5-11(6-4-10)18-13-9-15-8-7-12(13)14(16)17/h7-11H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid?
3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid is sourced from PubChem (CID 81445886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).