2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine

C13H10F3N — CID 24899763

IUPAC2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccccn1
InChIInChI=1S/C13H10F3N/c1-9-8-10(13(14,15)16)5-6-11(9)12-4-2-3-7-17-12/h2-8H,1H3
InChIKeyDXNDPZMZRNVZBE-UHFFFAOYSA-N
MW237.22 g/mol
LogP4.08
Rot. Bonds1

About 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine

2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 24899763) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine
PubChem CID24899763
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(C(F)(F)F)ccc1-c1ccccn1
InChIInChI=1S/C13H10F3N/c1-9-8-10(13(14,15)16)5-6-11(9)12-4-2-3-7-17-12/h2-8H,1H3
InChIKeyDXNDPZMZRNVZBE-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine (CID 24899763) is 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine is Cc1cc(C(F)(F)F)ccc1-c1ccccn1.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is DXNDPZMZRNVZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c1-9-8-10(13(14,15)16)5-6-11(9)12-4-2-3-7-17-12/h2-8H,1H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine?
2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 237.22 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 24899763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).