5-cyclohexylpyridine-2-carboxylic acid

C12H15NO2 — CID 658651

IUPAC5-cyclohexylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C2CCCCC2)cn1
InChIInChI=1S/C12H15NO2/c14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15)
InChIKeyLUNILJUTNGKCJL-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.83
Rot. Bonds2

About 5-cyclohexylpyridine-2-carboxylic acid

5-cyclohexylpyridine-2-carboxylic acid (PubChem CID 658651) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-cyclohexylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexylpyridine-2-carboxylic acid
PubChem CID658651
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-cyclohexylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C2CCCCC2)cn1
InChIInChI=1S/C12H15NO2/c14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15)
InChIKeyLUNILJUTNGKCJL-UHFFFAOYSA-N
XLogP2.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylpyridine-2-carboxylic acid?
The IUPAC name of 5-cyclohexylpyridine-2-carboxylic acid (CID 658651) is 5-cyclohexylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-cyclohexylpyridine-2-carboxylic acid?
The canonical SMILES for 5-cyclohexylpyridine-2-carboxylic acid is O=C(O)c1ccc(C2CCCCC2)cn1.
What is the InChIKey of 5-cyclohexylpyridine-2-carboxylic acid?
The InChIKey is LUNILJUTNGKCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15).
What are the key properties of 5-cyclohexylpyridine-2-carboxylic acid?
5-cyclohexylpyridine-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylpyridine-2-carboxylic acid is sourced from PubChem (CID 658651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).