2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid

C14H19NO3 — CID 61004153

IUPAC2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(OC2CCCCC2)n1
InChIInChI=1S/C14H19NO3/c1-9-8-10(2)15-13(12(9)14(16)17)18-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyCOQKZTOPUYXNJX-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.11
Rot. Bonds3

About 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid

2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61004153) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61004153
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(OC2CCCCC2)n1
InChIInChI=1S/C14H19NO3/c1-9-8-10(2)15-13(12(9)14(16)17)18-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,16,17)
InChIKeyCOQKZTOPUYXNJX-UHFFFAOYSA-N
XLogP3.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid (CID 61004153) is 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(OC2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is COQKZTOPUYXNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-8-10(2)15-13(12(9)14(16)17)18-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid?
2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61004153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).