5-methyl-2-(3,4,5-trifluorophenyl)pyridine

C12H8F3N — CID 168823076

IUPAC5-methyl-2-(3,4,5-trifluorophenyl)pyridine
SMILESCc1ccc(-c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C12H8F3N/c1-7-2-3-11(16-6-7)8-4-9(13)12(15)10(14)5-8/h2-6H,1H3
InChIKeyZJZHIPLJRPMJIO-UHFFFAOYSA-N
MW223.20 g/mol
LogP3.47
Rot. Bonds1

About 5-methyl-2-(3,4,5-trifluorophenyl)pyridine

5-methyl-2-(3,4,5-trifluorophenyl)pyridine (PubChem CID 168823076) has the molecular formula C12H8F3N and a molecular weight of 223.20 g/mol. Its IUPAC name is 5-methyl-2-(3,4,5-trifluorophenyl)pyridine.

Molecular Properties

Compound Name5-methyl-2-(3,4,5-trifluorophenyl)pyridine
PubChem CID168823076
Molecular FormulaC12H8F3N
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name5-methyl-2-(3,4,5-trifluorophenyl)pyridine
SMILESCc1ccc(-c2cc(F)c(F)c(F)c2)nc1
InChIInChI=1S/C12H8F3N/c1-7-2-3-11(16-6-7)8-4-9(13)12(15)10(14)5-8/h2-6H,1H3
InChIKeyZJZHIPLJRPMJIO-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3,4,5-trifluorophenyl)pyridine?
The IUPAC name of 5-methyl-2-(3,4,5-trifluorophenyl)pyridine (CID 168823076) is 5-methyl-2-(3,4,5-trifluorophenyl)pyridine.
What is the SMILES notation for 5-methyl-2-(3,4,5-trifluorophenyl)pyridine?
The canonical SMILES for 5-methyl-2-(3,4,5-trifluorophenyl)pyridine is Cc1ccc(-c2cc(F)c(F)c(F)c2)nc1.
What is the InChIKey of 5-methyl-2-(3,4,5-trifluorophenyl)pyridine?
The InChIKey is ZJZHIPLJRPMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N/c1-7-2-3-11(16-6-7)8-4-9(13)12(15)10(14)5-8/h2-6H,1H3.
What are the key properties of 5-methyl-2-(3,4,5-trifluorophenyl)pyridine?
5-methyl-2-(3,4,5-trifluorophenyl)pyridine has a molecular weight of 223.20 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3,4,5-trifluorophenyl)pyridine is sourced from PubChem (CID 168823076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).