2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine

C14H14FNO2 — CID 64854335

IUPAC2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
SMILESCOc1cccc(COc2cc(C)ccc2F)n1
InChIInChI=1S/C14H14FNO2/c1-10-6-7-12(15)13(8-10)18-9-11-4-3-5-14(16-11)17-2/h3-8H,9H2,1-2H3
InChIKeyULSMNZWAYGXTPY-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.12
Rot. Bonds4

About 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine

2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine (PubChem CID 64854335) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
PubChem CID64854335
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
SMILESCOc1cccc(COc2cc(C)ccc2F)n1
InChIInChI=1S/C14H14FNO2/c1-10-6-7-12(15)13(8-10)18-9-11-4-3-5-14(16-11)17-2/h3-8H,9H2,1-2H3
InChIKeyULSMNZWAYGXTPY-UHFFFAOYSA-N
XLogP3.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine?
The IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine (CID 64854335) is 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine?
The canonical SMILES for 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine is COc1cccc(COc2cc(C)ccc2F)n1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine?
The InChIKey is ULSMNZWAYGXTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-10-6-7-12(15)13(8-10)18-9-11-4-3-5-14(16-11)17-2/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine?
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine has a molecular weight of 247.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine is sourced from PubChem (CID 64854335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).