3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine

C14H14FNO — CID 131981623

IUPAC3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine
SMILESCOc1ncccc1-c1cc(C)c(F)cc1C
InChIInChI=1S/C14H14FNO/c1-9-8-13(15)10(2)7-12(9)11-5-4-6-16-14(11)17-3/h4-8H,1-3H3
InChIKeyXZCJSDVLESPPSJ-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.51
Rot. Bonds2

About 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine

3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine (PubChem CID 131981623) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine.

Molecular Properties

Compound Name3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine
PubChem CID131981623
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine
SMILESCOc1ncccc1-c1cc(C)c(F)cc1C
InChIInChI=1S/C14H14FNO/c1-9-8-13(15)10(2)7-12(9)11-5-4-6-16-14(11)17-3/h4-8H,1-3H3
InChIKeyXZCJSDVLESPPSJ-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine?
The IUPAC name of 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine (CID 131981623) is 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine.
What is the SMILES notation for 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine?
The canonical SMILES for 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine is COc1ncccc1-c1cc(C)c(F)cc1C.
What is the InChIKey of 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine?
The InChIKey is XZCJSDVLESPPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-8-13(15)10(2)7-12(9)11-5-4-6-16-14(11)17-3/h4-8H,1-3H3.
What are the key properties of 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine?
3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine has a molecular weight of 231.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine is sourced from PubChem (CID 131981623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).