5-(trifluoromethyl)-4H-pyridine

C6H4F3N — CID 152753955

IUPAC5-(trifluoromethyl)-4H-pyridine
SMILESFC(F)(F)C1=C=NC=CC1
InChIInChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1,3H,2H2
InChIKeyLKLBZQYFRTZKJB-UHFFFAOYSA-N
MW147.10 g/mol
LogP2.06
Rot. Bonds

About 5-(trifluoromethyl)-4H-pyridine

5-(trifluoromethyl)-4H-pyridine (PubChem CID 152753955) has the molecular formula C6H4F3N and a molecular weight of 147.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4H-pyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-4H-pyridine
PubChem CID152753955
Molecular FormulaC6H4F3N
Molecular Weight147.10 g/mol
Exact Mass147.03
IUPAC Name5-(trifluoromethyl)-4H-pyridine
SMILESFC(F)(F)C1=C=NC=CC1
InChIInChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1,3H,2H2
InChIKeyLKLBZQYFRTZKJB-UHFFFAOYSA-N
XLogP2.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4H-pyridine?
The IUPAC name of 5-(trifluoromethyl)-4H-pyridine (CID 152753955) is 5-(trifluoromethyl)-4H-pyridine.
What is the SMILES notation for 5-(trifluoromethyl)-4H-pyridine?
The canonical SMILES for 5-(trifluoromethyl)-4H-pyridine is FC(F)(F)C1=C=NC=CC1.
What is the InChIKey of 5-(trifluoromethyl)-4H-pyridine?
The InChIKey is LKLBZQYFRTZKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1,3H,2H2.
What are the key properties of 5-(trifluoromethyl)-4H-pyridine?
5-(trifluoromethyl)-4H-pyridine has a molecular weight of 147.10 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4H-pyridine is sourced from PubChem (CID 152753955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).