3,5-bis[4-(trifluoromethyl)phenyl]pyridine

C19H11F6N — CID 134623472

IUPAC3,5-bis[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cncc(-c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C19H11F6N/c20-18(21,22)16-5-1-12(2-6-16)14-9-15(11-26-10-14)13-3-7-17(8-4-13)19(23,24)25/h1-11H
InChIKeyJLQACDBVBNIOMS-UHFFFAOYSA-N
MW367.29 g/mol
LogP6.45
Rot. Bonds2

About 3,5-bis[4-(trifluoromethyl)phenyl]pyridine

3,5-bis[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 134623472) has the molecular formula C19H11F6N and a molecular weight of 367.29 g/mol. Its IUPAC name is 3,5-bis[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3,5-bis[4-(trifluoromethyl)phenyl]pyridine
PubChem CID134623472
Molecular FormulaC19H11F6N
Molecular Weight367.29 g/mol
Exact Mass367.08
IUPAC Name3,5-bis[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cncc(-c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C19H11F6N/c20-18(21,22)16-5-1-12(2-6-16)14-9-15(11-26-10-14)13-3-7-17(8-4-13)19(23,24)25/h1-11H
InChIKeyJLQACDBVBNIOMS-UHFFFAOYSA-N
XLogP6.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.29
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3,5-bis[4-(trifluoromethyl)phenyl]pyridine (CID 134623472) is 3,5-bis[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3,5-bis[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3,5-bis[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cncc(-c3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 3,5-bis[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is JLQACDBVBNIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N/c20-18(21,22)16-5-1-12(2-6-16)14-9-15(11-26-10-14)13-3-7-17(8-4-13)19(23,24)25/h1-11H.
What are the key properties of 3,5-bis[4-(trifluoromethyl)phenyl]pyridine?
3,5-bis[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 367.29 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134623472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).