3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine

C15H15ClFNO — CID 114065574

IUPAC3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1cccc(F)c1CCl
InChIInChI=1S/C15H15ClFNO/c1-3-13-15(8-7-10(2)18-13)19-14-6-4-5-12(17)11(14)9-16/h4-8H,3,9H2,1-2H3
InChIKeyWKLIFBVOEDUXGS-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.62
Rot. Bonds4

About 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine

3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine (PubChem CID 114065574) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
PubChem CID114065574
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1cccc(F)c1CCl
InChIInChI=1S/C15H15ClFNO/c1-3-13-15(8-7-10(2)18-13)19-14-6-4-5-12(17)11(14)9-16/h4-8H,3,9H2,1-2H3
InChIKeyWKLIFBVOEDUXGS-UHFFFAOYSA-N
XLogP4.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.62
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

3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene
CID 114065580
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
CID 103174316
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 103175228
3-[(6-chloro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103174660
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 103174512
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine
CID 103174579
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,3,5,6-tetrafluoropyridine
CID 103174614
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methanamine
CID 103174319
(1S)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methoxyphenyl]ethanol
CID 103175163
(1S)-1-[4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 103174897

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine?
The IUPAC name of 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine (CID 114065574) is 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1Oc1cccc(F)c1CCl.
What is the InChIKey of 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine?
The InChIKey is WKLIFBVOEDUXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-3-13-15(8-7-10(2)18-13)19-14-6-4-5-12(17)11(14)9-16/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine?
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine has a molecular weight of 279.74 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine is sourced from PubChem (CID 114065574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).