4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine

C13H18ClNO — CID 106203574

IUPAC4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
SMILESCc1cc(CCl)cc(OCCC2CCC2)n1
InChIInChI=1S/C13H18ClNO/c1-10-7-12(9-14)8-13(15-10)16-6-5-11-3-2-4-11/h7-8,11H,2-6,9H2,1H3
InChIKeyOXANOFZREIIKQP-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.70
Rot. Bonds5

About 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine

4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine (PubChem CID 106203574) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
PubChem CID106203574
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
SMILESCc1cc(CCl)cc(OCCC2CCC2)n1
InChIInChI=1S/C13H18ClNO/c1-10-7-12(9-14)8-13(15-10)16-6-5-11-3-2-4-11/h7-8,11H,2-6,9H2,1H3
InChIKeyOXANOFZREIIKQP-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.70
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-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
4-(2-cyclobutylethoxy)-6-methylpyrimidin-2-amine
CID 106207412
5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
CID 106203581
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
[6-(2-cyclobutylethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 106207928
1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene
CID 114191448
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
CID 114157440
4-(2-cyclopropylethoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 106207480
N-[[6-(2-cyclobutylethoxy)-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 106205525
[2-(2-cyclobutylethoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 106199510
1-[2-(cyclohexylmethoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379534

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine?
The IUPAC name of 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine (CID 106203574) is 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine is Cc1cc(CCl)cc(OCCC2CCC2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine?
The InChIKey is OXANOFZREIIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-7-12(9-14)8-13(15-10)16-6-5-11-3-2-4-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine?
4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine has a molecular weight of 239.75 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine is sourced from PubChem (CID 106203574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).