3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine

C13H18ClNO — CID 62383019

IUPAC3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine
SMILESClCc1cccnc1OCC1CCCCC1
InChIInChI=1S/C13H18ClNO/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2
InChIKeyIWELHLSAYXVMEP-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.78
Rot. Bonds4

About 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine

3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine (PubChem CID 62383019) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine
PubChem CID62383019
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine
SMILESClCc1cccnc1OCC1CCCCC1
InChIInChI=1S/C13H18ClNO/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2
InChIKeyIWELHLSAYXVMEP-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclohexylmethoxy)-3-pyridinyl]methanol
CID 62383389
[2-(cyclopentylmethoxy)-3-pyridinyl]methanol
CID 66323302
2-chloro-3-(cyclohexylmethoxy)pyridine
CID 65101918
3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine
CID 61267879
3-(cycloheptylmethoxy)pyridine-2-carbonitrile
CID 114083871
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926
3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63971575
3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine
CID 61268222
3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
CID 171364232
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine (CID 62383019) is 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine is ClCc1cccnc1OCC1CCCCC1.
What is the InChIKey of 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine?
The InChIKey is IWELHLSAYXVMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2.
What are the key properties of 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine?
3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine has a molecular weight of 239.75 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(cyclohexylmethoxy)pyridine is sourced from PubChem (CID 62383019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).