3-[3,5-bis(trifluoromethyl)phenyl]pyridine

C13H7F6N — CID 46315288

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2cccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F6N/c14-12(15,16)10-4-9(8-2-1-3-20-7-8)5-11(6-10)13(17,18)19/h1-7H
InChIKeyWEHGPXOSSNRHSN-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.79
Rot. Bonds1

About 3-[3,5-bis(trifluoromethyl)phenyl]pyridine

3-[3,5-bis(trifluoromethyl)phenyl]pyridine (PubChem CID 46315288) has the molecular formula C13H7F6N and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]pyridine
PubChem CID46315288
Molecular FormulaC13H7F6N
Molecular Weight291.19 g/mol
Exact Mass291.05
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2cccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F6N/c14-12(15,16)10-4-9(8-2-1-3-20-7-8)5-11(6-10)13(17,18)19/h1-7H
InChIKeyWEHGPXOSSNRHSN-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]pyridine (CID 46315288) is 3-[3,5-bis(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(-c2cccnc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]pyridine?
The InChIKey is WEHGPXOSSNRHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6N/c14-12(15,16)10-4-9(8-2-1-3-20-7-8)5-11(6-10)13(17,18)19/h1-7H.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]pyridine?
3-[3,5-bis(trifluoromethyl)phenyl]pyridine has a molecular weight of 291.19 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46315288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).