2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine

C13H6F7NO — CID 133089361

IUPAC2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
SMILESFc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H6F7NO/c14-11-9(5-7(6-21-11)12(15,16)17)8-3-1-2-4-10(8)22-13(18,19)20/h1-6H
InChIKeyVITDCAAPKATHFZ-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.81
Rot. Bonds2

About 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine

2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 133089361) has the molecular formula C13H6F7NO and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID133089361
Molecular FormulaC13H6F7NO
Molecular Weight325.18 g/mol
Exact Mass325.03
IUPAC Name2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
SMILESFc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H6F7NO/c14-11-9(5-7(6-21-11)12(15,16)17)8-3-1-2-4-10(8)22-13(18,19)20/h1-6H
InChIKeyVITDCAAPKATHFZ-UHFFFAOYSA-N
XLogP4.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 119025158
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 118813597
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
1-(difluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118809084
[2-[2-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118848836
3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 133088932
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine (CID 133089361) is 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine is Fc1ncc(C(F)(F)F)cc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is VITDCAAPKATHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7NO/c14-11-9(5-7(6-21-11)12(15,16)17)8-3-1-2-4-10(8)22-13(18,19)20/h1-6H.
What are the key properties of 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 325.18 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 133089361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).