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

C12H7F4N — CID 133089697

IUPAC2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
SMILESFc1ncccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F4N/c13-11-10(5-2-6-17-11)8-3-1-4-9(7-8)12(14,15)16/h1-7H
InChIKeyFYFSZOXGZCHJFC-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.91
Rot. Bonds1

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

2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 133089697) has the molecular formula C12H7F4N and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID133089697
Molecular FormulaC12H7F4N
Molecular Weight241.19 g/mol
Exact Mass241.05
IUPAC Name2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
SMILESFc1ncccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H7F4N/c13-11-10(5-2-6-17-11)8-3-1-4-9(7-8)12(14,15)16/h1-7H
InChIKeyFYFSZOXGZCHJFC-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 133089826
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
3-(2-fluoro-3-pyridinyl)benzaldehyde
CID 165111787
2-[6-fluoro-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 133089736
2-fluoro-6-methoxy-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089532
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine (CID 133089697) is 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine is Fc1ncccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is FYFSZOXGZCHJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N/c13-11-10(5-2-6-17-11)8-3-1-4-9(7-8)12(14,15)16/h1-7H.
What are the key properties of 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine?
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 241.19 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 133089697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).