3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid

C13H15NO3 — CID 23364091

IUPAC3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1C(=O)C1CCCCC1
InChIInChI=1S/C13H15NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyGZMBUZSWXFDMJR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.54
Rot. Bonds3

About 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid

3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid (PubChem CID 23364091) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid
PubChem CID23364091
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1C(=O)C1CCCCC1
InChIInChI=1S/C13H15NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyGZMBUZSWXFDMJR-UHFFFAOYSA-N
XLogP2.54
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl-(2-fluoro-3-pyridinyl)methanone
CID 69292771
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
pyridine-2,3-dicarboxylic acid
CID 1066
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
(3-amino-2-pyridinyl)-cyclobutylmethanone
CID 116613925
3-oxalopyridine-2-carboxylic acid
CID 15639413
2-cyclopentylpyridine-3-carboxylic acid
CID 83915500
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
cycloheptyl-(2-iodophenyl)methanone
CID 115794862

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid (CID 23364091) is 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1C(=O)C1CCCCC1.
What is the InChIKey of 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid?
The InChIKey is GZMBUZSWXFDMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h4,7-9H,1-3,5-6H2,(H,16,17).
What are the key properties of 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid?
3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 23364091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).