5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine

C8H8F3N — CID 145360066

IUPAC5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine
SMILESC=C1C=C(C(F)(F)F)C(C)=CN1
InChIInChI=1S/C8H8F3N/c1-5-4-12-6(2)3-7(5)8(9,10)11/h3-4,12H,2H2,1H3
InChIKeyRJODQTASTGNLIU-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.50
Rot. Bonds

About 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine

5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine (PubChem CID 145360066) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Name5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine
PubChem CID145360066
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine
SMILESC=C1C=C(C(F)(F)F)C(C)=CN1
InChIInChI=1S/C8H8F3N/c1-5-4-12-6(2)3-7(5)8(9,10)11/h3-4,12H,2H2,1H3
InChIKeyRJODQTASTGNLIU-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine?
The IUPAC name of 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine (CID 145360066) is 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine is C=C1C=C(C(F)(F)F)C(C)=CN1.
What is the InChIKey of 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine?
The InChIKey is RJODQTASTGNLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-5-4-12-6(2)3-7(5)8(9,10)11/h3-4,12H,2H2,1H3.
What are the key properties of 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine?
5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine has a molecular weight of 175.15 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 145360066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).