2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde

C12H14ClNO2 — CID 131471032

IUPAC2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
SMILESO=Cc1ccc(OC2CCCCC2)nc1Cl
InChIInChI=1S/C12H14ClNO2/c13-12-9(8-15)6-7-11(14-12)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyGKWHKNOJSKRJDF-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde

2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde (PubChem CID 131471032) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
PubChem CID131471032
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
SMILESO=Cc1ccc(OC2CCCCC2)nc1Cl
InChIInChI=1S/C12H14ClNO2/c13-12-9(8-15)6-7-11(14-12)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyGKWHKNOJSKRJDF-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde (CID 131471032) is 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde is O=Cc1ccc(OC2CCCCC2)nc1Cl.
What is the InChIKey of 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde?
The InChIKey is GKWHKNOJSKRJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-12-9(8-15)6-7-11(14-12)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde?
2-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 2-chloro-6-cyclohexyloxypyridine-3-carbaldehyde is sourced from PubChem (CID 131471032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).