2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid

C14H19NO3 — CID 43095091

IUPAC2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid
SMILESCCC1CCCCC1Oc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H19NO3/c1-2-10-5-3-4-6-12(10)18-13-9-11(14(16)17)7-8-15-13/h7-10,12H,2-6H2,1H3,(H,16,17)
InChIKeyYBVIVUAHWYAAIA-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.13
Rot. Bonds4

About 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid

2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid (PubChem CID 43095091) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid
PubChem CID43095091
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid
SMILESCCC1CCCCC1Oc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H19NO3/c1-2-10-5-3-4-6-12(10)18-13-9-11(14(16)17)7-8-15-13/h7-10,12H,2-6H2,1H3,(H,16,17)
InChIKeyYBVIVUAHWYAAIA-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-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
4-[(2-ethylcyclohexyl)oxymethyl]-3-fluorobenzoic acid
CID 63073948
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
CID 107014244
[4-(2-ethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909980
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
CID 63862291
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride
CID 161080685
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516
2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
CID 28996595
4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
CID 63357412
2-bromo-6-(2-ethylcyclohexyl)oxypyridine
CID 63964037

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid?
The IUPAC name of 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid (CID 43095091) is 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid is CCC1CCCCC1Oc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid?
The InChIKey is YBVIVUAHWYAAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-10-5-3-4-6-12(10)18-13-9-11(14(16)17)7-8-15-13/h7-10,12H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid?
2-(2-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 2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid is sourced from PubChem (CID 43095091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).