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

C14H12F3N — CID 145238167

IUPAC4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESCCc1ccnc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H12F3N/c1-2-10-7-8-18-13(9-10)11-3-5-12(6-4-11)14(15,16)17/h3-9H,2H2,1H3
InChIKeyMPXWCZPOBNOUQD-UHFFFAOYSA-N
MW251.25 g/mol
LogP4.33
Rot. Bonds2

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

4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 145238167) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID145238167
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESCCc1ccnc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H12F3N/c1-2-10-7-8-18-13(9-10)11-3-5-12(6-4-11)14(15,16)17/h3-9H,2H2,1H3
InChIKeyMPXWCZPOBNOUQD-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine (CID 145238167) is 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine is CCc1ccnc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is MPXWCZPOBNOUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-2-10-7-8-18-13(9-10)11-3-5-12(6-4-11)14(15,16)17/h3-9H,2H2,1H3.
What are the key properties of 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine?
4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 251.25 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 145238167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).