5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine

C12H16ClNO — CID 106203581

IUPAC5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
SMILESClCc1ccc(OCCC2CCC2)nc1
InChIInChI=1S/C12H16ClNO/c13-8-11-4-5-12(14-9-11)15-7-6-10-2-1-3-10/h4-5,9-10H,1-3,6-8H2
InChIKeyWGCMMKNSWPNGSW-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.39
Rot. Bonds5

About 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine

5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine (PubChem CID 106203581) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
PubChem CID106203581
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
SMILESClCc1ccc(OCCC2CCC2)nc1
InChIInChI=1S/C12H16ClNO/c13-8-11-4-5-12(14-9-11)15-7-6-10-2-1-3-10/h4-5,9-10H,1-3,6-8H2
InChIKeyWGCMMKNSWPNGSW-UHFFFAOYSA-N
XLogP3.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.39
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

6-(2-cyclobutylethoxy)pyridine-3-sulfonyl chloride
CID 114157245
(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine
CID 106202300
4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
CID 106203574
5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine
CID 61258072
5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268981
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
2-(2-cyclopropylethoxy)-5-methylsulfonylpyridine
CID 123409029
5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
CID 63557481
3-chloro-6-(2-cyclopropylethoxy)pyridazine
CID 58075185
1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene
CID 114191448
[6-[2-(aziridin-2-yl)ethoxy]-3-pyridinyl]methanamine
CID 175486582

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine (CID 106203581) is 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine is ClCc1ccc(OCCC2CCC2)nc1.
What is the InChIKey of 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine?
The InChIKey is WGCMMKNSWPNGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-8-11-4-5-12(14-9-11)15-7-6-10-2-1-3-10/h4-5,9-10H,1-3,6-8H2.
What are the key properties of 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine?
5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine has a molecular weight of 225.72 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine is sourced from PubChem (CID 106203581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).