4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid

C13H15NO3 — CID 116918674

IUPAC4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)c2ccccn2)CC1
InChIInChI=1S/C13H15NO3/c15-12(11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(16)17/h1-3,8-10H,4-7H2,(H,16,17)
InChIKeyJZJMDSMWNOUVKS-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.16
Rot. Bonds3

About 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid

4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 116918674) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID116918674
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)c2ccccn2)CC1
InChIInChI=1S/C13H15NO3/c15-12(11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(16)17/h1-3,8-10H,4-7H2,(H,16,17)
InChIKeyJZJMDSMWNOUVKS-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyridine-2-carbonyl)cyclohexan-1-one
CID 116920313
(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
pyridin-2-yl-[(3S)-thiolan-3-yl]methanone
CID 99934837
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
oxiran-2-yl(pyridin-2-yl)methanone
CID 89057546
4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
CID 69023524
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
CID 87968844
CID 87968844
gadolinium;pyridine-2-carboxylic acid
CID 175231422
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134713696
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid (CID 116918674) is 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)c2ccccn2)CC1.
What is the InChIKey of 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is JZJMDSMWNOUVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(16)17/h1-3,8-10H,4-7H2,(H,16,17).
What are the key properties of 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid?
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116918674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).