6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine

C8H8F3N — CID 123927403

IUPAC6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine
SMILESC=C1CC(C(F)(F)F)=CC(C)=N1
InChIInChI=1S/C8H8F3N/c1-5-3-7(8(9,10)11)4-6(2)12-5/h4H,1,3H2,2H3
InChIKeyVYWHQQZIZBQSPK-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.85
Rot. Bonds

About 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine

6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine (PubChem CID 123927403) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine.

Molecular Properties

Compound Name6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine
PubChem CID123927403
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine
SMILESC=C1CC(C(F)(F)F)=CC(C)=N1
InChIInChI=1S/C8H8F3N/c1-5-3-7(8(9,10)11)4-6(2)12-5/h4H,1,3H2,2H3
InChIKeyVYWHQQZIZBQSPK-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine?
The IUPAC name of 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine (CID 123927403) is 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine.
What is the SMILES notation for 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine?
The canonical SMILES for 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine is C=C1CC(C(F)(F)F)=CC(C)=N1.
What is the InChIKey of 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine?
The InChIKey is VYWHQQZIZBQSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-5-3-7(8(9,10)11)4-6(2)12-5/h4H,1,3H2,2H3.
What are the key properties of 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine?
6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine has a molecular weight of 175.15 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine is sourced from PubChem (CID 123927403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).