3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine

C12H9F2NO — CID 46312570

IUPAC3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine
SMILESCOc1c(F)cncc1-c1ccc(F)cc1
InChIInChI=1S/C12H9F2NO/c1-16-12-10(6-15-7-11(12)14)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyOTZONPLEJIZLJK-UHFFFAOYSA-N
MW221.21 g/mol
LogP3.04
Rot. Bonds2

About 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine

3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine (PubChem CID 46312570) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine.

Molecular Properties

Compound Name3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine
PubChem CID46312570
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine
SMILESCOc1c(F)cncc1-c1ccc(F)cc1
InChIInChI=1S/C12H9F2NO/c1-16-12-10(6-15-7-11(12)14)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyOTZONPLEJIZLJK-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine?
The IUPAC name of 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine (CID 46312570) is 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine.
What is the SMILES notation for 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine?
The canonical SMILES for 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine is COc1c(F)cncc1-c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine?
The InChIKey is OTZONPLEJIZLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c1-16-12-10(6-15-7-11(12)14)8-2-4-9(13)5-3-8/h2-7H,1H3.
What are the key properties of 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine?
3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine has a molecular weight of 221.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-fluorophenyl)-4-methoxypyridine is sourced from PubChem (CID 46312570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).