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

C14H13ClFNO — CID 112650732

IUPAC2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
SMILESCc1cccnc1COc1c(F)cccc1CCl
InChIInChI=1S/C14H13ClFNO/c1-10-4-3-7-17-13(10)9-18-14-11(8-15)5-2-6-12(14)16/h2-7H,8-9H2,1H3
InChIKeyKIAPRHGGOQARPC-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.85
Rot. Bonds4

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

2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine (PubChem CID 112650732) has the molecular formula C14H13ClFNO and a molecular weight of 265.71 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
PubChem CID112650732
Molecular FormulaC14H13ClFNO
Molecular Weight265.71 g/mol
Exact Mass265.07
IUPAC Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
SMILESCc1cccnc1COc1c(F)cccc1CCl
InChIInChI=1S/C14H13ClFNO/c1-10-4-3-7-17-13(10)9-18-14-11(8-15)5-2-6-12(14)16/h2-7H,8-9H2,1H3
InChIKeyKIAPRHGGOQARPC-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.85
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

2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613290
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene
CID 112613649
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 112613725
1-[3-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115982350
2-chloro-3-[(2,6-difluorophenoxy)methyl]pyridine
CID 78918861
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115956685
1-[3-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 115982371

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine?
The IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine (CID 112650732) is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine?
The canonical SMILES for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine is Cc1cccnc1COc1c(F)cccc1CCl.
What is the InChIKey of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine?
The InChIKey is KIAPRHGGOQARPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-10-4-3-7-17-13(10)9-18-14-11(8-15)5-2-6-12(14)16/h2-7H,8-9H2,1H3.
What are the key properties of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine?
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine has a molecular weight of 265.71 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine is sourced from PubChem (CID 112650732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).