2-chloro-3-(cyclohexylmethoxy)pyridine

C12H16ClNO — CID 65101918

IUPAC2-chloro-3-(cyclohexylmethoxy)pyridine
SMILESClc1ncccc1OCC1CCCCC1
InChIInChI=1S/C12H16ClNO/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyONLFSCFTEMZBDA-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-3-(cyclohexylmethoxy)pyridine

2-chloro-3-(cyclohexylmethoxy)pyridine (PubChem CID 65101918) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-3-(cyclohexylmethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(cyclohexylmethoxy)pyridine
PubChem CID65101918
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-3-(cyclohexylmethoxy)pyridine
SMILESClc1ncccc1OCC1CCCCC1
InChIInChI=1S/C12H16ClNO/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyONLFSCFTEMZBDA-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
CID 171364232
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
3-(cyclobutylmethoxy)-2-(2,2-dimethylpropyl)pyridine
CID 166041310
2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine
CID 156612379
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine
CID 62383019
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
cis-(1R,2R)-2-[(2-chloro-3-pyridinyl)oxymethyl]cyclopropane-1-carboxylic acid
CID 167944004
[2-(cyclohexylmethoxy)-3-pyridinyl]methanol
CID 62383389
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride
CID 90165039
3-(cyclopentylmethoxy)-4-fluoropyridine
CID 142361626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(cyclohexylmethoxy)pyridine?
The IUPAC name of 2-chloro-3-(cyclohexylmethoxy)pyridine (CID 65101918) is 2-chloro-3-(cyclohexylmethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(cyclohexylmethoxy)pyridine?
The canonical SMILES for 2-chloro-3-(cyclohexylmethoxy)pyridine is Clc1ncccc1OCC1CCCCC1.
What is the InChIKey of 2-chloro-3-(cyclohexylmethoxy)pyridine?
The InChIKey is ONLFSCFTEMZBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of 2-chloro-3-(cyclohexylmethoxy)pyridine?
2-chloro-3-(cyclohexylmethoxy)pyridine has a molecular weight of 225.72 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(cyclohexylmethoxy)pyridine is sourced from PubChem (CID 65101918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).