4-[4-(trifluoromethyl)phenyl]pyridine

C12H8F3N — CID 613965

IUPAC4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C12H8F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-8H
InChIKeyXKLRYMRLOBCRPN-UHFFFAOYSA-N
MW223.20 g/mol
LogP3.77
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]pyridine

4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 613965) has the molecular formula C12H8F3N and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID613965
Molecular FormulaC12H8F3N
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C12H8F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-8H
InChIKeyXKLRYMRLOBCRPN-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]pyridine (CID 613965) is 4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is XKLRYMRLOBCRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h1-8H.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]pyridine?
4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 223.20 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 613965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).