3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine

C12H7F4NO — CID 133089266

IUPAC3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFc1cncc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C12H7F4NO/c13-10-4-9(6-17-7-10)8-2-1-3-11(5-8)18-12(14,15)16/h1-7H
InChIKeyZNHYGYUTLLDZOZ-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.79
Rot. Bonds2

About 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine

3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 133089266) has the molecular formula C12H7F4NO and a molecular weight of 257.19 g/mol. Its IUPAC name is 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID133089266
Molecular FormulaC12H7F4NO
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFc1cncc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C12H7F4NO/c13-10-4-9(6-17-7-10)8-2-1-3-11(5-8)18-12(14,15)16/h1-7H
InChIKeyZNHYGYUTLLDZOZ-UHFFFAOYSA-N
XLogP3.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
3-fluoro-5-(trifluoromethoxy)pyridine
CID 91532712
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzonitrile
CID 134626602
3,5-bis[3-(3-fluorophenyl)phenyl]pyridine
CID 144604637
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
5-fluoro-3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 133089187
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine (CID 133089266) is 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine is Fc1cncc(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is ZNHYGYUTLLDZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4NO/c13-10-4-9(6-17-7-10)8-2-1-3-11(5-8)18-12(14,15)16/h1-7H.
What are the key properties of 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine?
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 257.19 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 133089266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).