3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine

C9H8F3N — CID 154542666

IUPAC3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine
SMILESC=Cc1cc(C(F)(F)F)cnc1C
InChIInChI=1S/C9H8F3N/c1-3-7-4-8(9(10,11)12)5-13-6(7)2/h3-5H,1H2,2H3
InChIKeyIBLWOXISUANZBZ-UHFFFAOYSA-N
MW187.16 g/mol
LogP3.05
Rot. Bonds1

About 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine

3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 154542666) has the molecular formula C9H8F3N and a molecular weight of 187.16 g/mol. Its IUPAC name is 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine
PubChem CID154542666
Molecular FormulaC9H8F3N
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine
SMILESC=Cc1cc(C(F)(F)F)cnc1C
InChIInChI=1S/C9H8F3N/c1-3-7-4-8(9(10,11)12)5-13-6(7)2/h3-5H,1H2,2H3
InChIKeyIBLWOXISUANZBZ-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine (CID 154542666) is 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine is C=Cc1cc(C(F)(F)F)cnc1C.
What is the InChIKey of 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is IBLWOXISUANZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N/c1-3-7-4-8(9(10,11)12)5-13-6(7)2/h3-5H,1H2,2H3.
What are the key properties of 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine?
3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 187.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 154542666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).