3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine

C15H14ClF2NO — CID 103175217

IUPAC3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-3-13-14(5-4-9(2)19-13)20-15-11(17)6-10(8-16)7-12(15)18/h4-7H,3,8H2,1-2H3
InChIKeyYJNSSNSGOSXZIO-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.76
Rot. Bonds4

About 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine

3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine (PubChem CID 103175217) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine.

Molecular Properties

Compound Name3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
PubChem CID103175217
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
SMILESCCc1nc(C)ccc1Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-3-13-14(5-4-9(2)19-13)20-15-11(17)6-10(8-16)7-12(15)18/h4-7H,3,8H2,1-2H3
InChIKeyYJNSSNSGOSXZIO-UHFFFAOYSA-N
XLogP4.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.76
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-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,3,5,6-tetrafluoropyridine
CID 103174614
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574
5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
CID 107666217
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 103175228
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
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
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 114062657
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine?
The IUPAC name of 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine (CID 103175217) is 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine.
What is the SMILES notation for 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine?
The canonical SMILES for 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine is CCc1nc(C)ccc1Oc1c(F)cc(CCl)cc1F.
What is the InChIKey of 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine?
The InChIKey is YJNSSNSGOSXZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-3-13-14(5-4-9(2)19-13)20-15-11(17)6-10(8-16)7-12(15)18/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine?
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine has a molecular weight of 297.73 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine is sourced from PubChem (CID 103175217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).