2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine

C16H17BrFNO2 — CID 115956836

IUPAC2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(COc2c(F)cccc2CBr)c1C
InChIInChI=1S/C16H17BrFNO2/c1-10-8-19-14(11(2)15(10)20-3)9-21-16-12(7-17)5-4-6-13(16)18/h4-6,8H,7,9H2,1-3H3
InChIKeyYLCIKUPAYOELCW-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.32
Rot. Bonds5

About 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine

2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 115956836) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID115956836
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(COc2c(F)cccc2CBr)c1C
InChIInChI=1S/C16H17BrFNO2/c1-10-8-19-14(11(2)15(10)20-3)9-21-16-12(7-17)5-4-6-13(16)18/h4-6,8H,7,9H2,1-3H3
InChIKeyYLCIKUPAYOELCW-UHFFFAOYSA-N
XLogP4.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.32
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

1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 105372213
2-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 107698932
5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 103482976
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
2-[(5-bromo-2-methoxyphenyl)methoxy]-1-(bromomethyl)-3-fluorobenzene
CID 115956804
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 112614052
2-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 60905899
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 63085403
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene
CID 112614060
[5-bromo-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 28981665

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine (CID 115956836) is 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(COc2c(F)cccc2CBr)c1C.
What is the InChIKey of 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is YLCIKUPAYOELCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10-8-19-14(11(2)15(10)20-3)9-21-16-12(7-17)5-4-6-13(16)18/h4-6,8H,7,9H2,1-3H3.
What are the key properties of 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine?
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 354.22 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 115956836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).