3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine

C15H15Cl2NO — CID 103175228

IUPAC3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1cc(Cl)ccc1CCl
InChIInChI=1S/C15H15Cl2NO/c1-3-13-14(7-4-10(2)18-13)19-15-8-12(17)6-5-11(15)9-16/h4-8H,3,9H2,1-2H3
InChIKeyLSDZDGSUBRIUMJ-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.14
Rot. Bonds4

About 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine

3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine (PubChem CID 103175228) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
PubChem CID103175228
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1cc(Cl)ccc1CCl
InChIInChI=1S/C15H15Cl2NO/c1-3-13-14(7-4-10(2)18-13)19-15-8-12(17)6-5-11(15)9-16/h4-8H,3,9H2,1-2H3
InChIKeyLSDZDGSUBRIUMJ-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.14
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

4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
CID 103174823
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574
5-chloro-2-[5-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 114846926
2,4-dichloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazine
CID 103174578
1-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
3-[(6-chloro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103174660
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-methylphenyl]methanamine
CID 107926557
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine
CID 103174626
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872
4-chloro-1-(chloromethyl)-2-(3,4-dimethylphenoxy)benzene
CID 114846964
(1R)-1-[3-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 103175145

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine?
The IUPAC name of 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine (CID 103175228) is 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1Oc1cc(Cl)ccc1CCl.
What is the InChIKey of 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine?
The InChIKey is LSDZDGSUBRIUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-3-13-14(7-4-10(2)18-13)19-15-8-12(17)6-5-11(15)9-16/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine?
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine has a molecular weight of 296.20 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine is sourced from PubChem (CID 103175228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).