5-cyclohexylpyridine-3-carbaldehyde

C12H15NO — CID 82404419

IUPAC5-cyclohexylpyridine-3-carbaldehyde
SMILESO=Cc1cncc(C2CCCCC2)c1
InChIInChI=1S/C12H15NO/c14-9-10-6-12(8-13-7-10)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyHLVADZXFBGMDOW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.94
Rot. Bonds2

About 5-cyclohexylpyridine-3-carbaldehyde

5-cyclohexylpyridine-3-carbaldehyde (PubChem CID 82404419) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-cyclohexylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclohexylpyridine-3-carbaldehyde
PubChem CID82404419
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-cyclohexylpyridine-3-carbaldehyde
SMILESO=Cc1cncc(C2CCCCC2)c1
InChIInChI=1S/C12H15NO/c14-9-10-6-12(8-13-7-10)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyHLVADZXFBGMDOW-UHFFFAOYSA-N
XLogP2.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylpyridine-3-carbaldehyde?
The IUPAC name of 5-cyclohexylpyridine-3-carbaldehyde (CID 82404419) is 5-cyclohexylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-cyclohexylpyridine-3-carbaldehyde?
The canonical SMILES for 5-cyclohexylpyridine-3-carbaldehyde is O=Cc1cncc(C2CCCCC2)c1.
What is the InChIKey of 5-cyclohexylpyridine-3-carbaldehyde?
The InChIKey is HLVADZXFBGMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-9-10-6-12(8-13-7-10)11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 5-cyclohexylpyridine-3-carbaldehyde?
5-cyclohexylpyridine-3-carbaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylpyridine-3-carbaldehyde is sourced from PubChem (CID 82404419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).