2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine

C15H15ClFNO2 — CID 115956685

IUPAC2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2c(F)cccc2CCl)c1
InChIInChI=1S/C15H15ClFNO2/c1-10-6-13(19-2)7-12(18-10)9-20-15-11(8-16)4-3-5-14(15)17/h3-7H,8-9H2,1-2H3
InChIKeyPLSYDYCRECFBQY-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.86
Rot. Bonds5

About 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine

2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine (PubChem CID 115956685) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
PubChem CID115956685
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2c(F)cccc2CCl)c1
InChIInChI=1S/C15H15ClFNO2/c1-10-6-13(19-2)7-12(18-10)9-20-15-11(8-16)4-3-5-14(15)17/h3-7H,8-9H2,1-2H3
InChIKeyPLSYDYCRECFBQY-UHFFFAOYSA-N
XLogP3.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115962306
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902
[2-fluoro-6-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891847
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888898
1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene
CID 114067984
[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891533
3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891772
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
CID 112650732
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
[3,5-dichloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 82886627

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine?
The IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine (CID 115956685) is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine is COc1cc(C)nc(COc2c(F)cccc2CCl)c1.
What is the InChIKey of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine?
The InChIKey is PLSYDYCRECFBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-10-6-13(19-2)7-12(18-10)9-20-15-11(8-16)4-3-5-14(15)17/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine?
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine has a molecular weight of 295.74 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine is sourced from PubChem (CID 115956685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).