3-(cyclohexylmethoxy)pyridine-2-carbaldehyde

C13H17NO2 — CID 171364232

IUPAC3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncccc1OCC1CCCCC1
InChIInChI=1S/C13H17NO2/c15-9-12-13(7-4-8-14-12)16-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
InChIKeyAWKOBLJDVZSWBL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.85
Rot. Bonds4

About 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde

3-(cyclohexylmethoxy)pyridine-2-carbaldehyde (PubChem CID 171364232) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
PubChem CID171364232
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncccc1OCC1CCCCC1
InChIInChI=1S/C13H17NO2/c15-9-12-13(7-4-8-14-12)16-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
InChIKeyAWKOBLJDVZSWBL-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(cyclohexylmethoxy)pyridine
CID 65101918
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
3-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 90428188
3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
CID 58423208
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 118867860
3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine
CID 166041310
(2-formyl-3-pyridinyl) hypoiodite
CID 87756463
2-(cyclohexylmethoxy)-3-methoxybenzaldehyde
CID 43471351
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
[2-(cyclohexylmethoxy)-3-pyridinyl]methanol
CID 62383389

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde (CID 171364232) is 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde is O=Cc1ncccc1OCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde?
The InChIKey is AWKOBLJDVZSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-12-13(7-4-8-14-12)16-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2.
What are the key properties of 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde?
3-(cyclohexylmethoxy)pyridine-2-carbaldehyde has a molecular weight of 219.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 171364232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).