4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde

C12H15NO2 — CID 170973042

IUPAC4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde
SMILESO=CC1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C12H15NO2/c14-9-10-4-6-12(15,7-5-10)11-3-1-2-8-13-11/h1-3,8-10,15H,4-7H2
InChIKeyXABSGICDWMYHIX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.66
Rot. Bonds2

About 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde

4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde (PubChem CID 170973042) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde
PubChem CID170973042
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde
SMILESO=CC1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C12H15NO2/c14-9-10-4-6-12(15,7-5-10)11-3-1-2-8-13-11/h1-3,8-10,15H,4-7H2
InChIKeyXABSGICDWMYHIX-UHFFFAOYSA-N
XLogP1.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde (CID 170973042) is 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde is O=CC1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is XABSGICDWMYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-9-10-4-6-12(15,7-5-10)11-3-1-2-8-13-11/h1-3,8-10,15H,4-7H2.
What are the key properties of 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde?
4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 170973042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).