5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde

C12H14ClNO2 — CID 131539537

IUPAC5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
SMILESO=Cc1cnc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO2/c13-11-6-9(8-15)7-14-12(11)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyIFGVEHVHYBEJPY-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.26
Rot. Bonds3

About 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde

5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde (PubChem CID 131539537) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
PubChem CID131539537
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
SMILESO=Cc1cnc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO2/c13-11-6-9(8-15)7-14-12(11)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyIFGVEHVHYBEJPY-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.26
H-Bond Donors ≤ 50
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 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde (CID 131539537) is 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde is O=Cc1cnc(OC2CCCCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde?
The InChIKey is IFGVEHVHYBEJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-6-9(8-15)7-14-12(11)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde?
5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde has a molecular weight of 239.70 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde is sourced from PubChem (CID 131539537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).