3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine

C8H10F3N — CID 89996702

IUPAC3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine
SMILESCC1(CC=C(N=C1)C(F)(F)F)C
InChIInChI=1S/C8H10F3N/c1-7(2)4-3-6(12-5-7)8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyBCGBQBVIWTZNOD-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.00
Rot. Bonds

About 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine

3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine (PubChem CID 89996702) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine.

Molecular Properties

Compound Name3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine
PubChem CID89996702
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine
SMILESCC1(CC=C(N=C1)C(F)(F)F)C
InChIInChI=1S/C8H10F3N/c1-7(2)4-3-6(12-5-7)8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyBCGBQBVIWTZNOD-UHFFFAOYSA-N
XLogP2.00
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity235

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine?
The IUPAC name of 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine (CID 89996702) is 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine.
What is the SMILES notation for 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine?
The canonical SMILES for 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine is CC1(CC=C(N=C1)C(F)(F)F)C.
What is the InChIKey of 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine?
The InChIKey is BCGBQBVIWTZNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-7(2)4-3-6(12-5-7)8(9,10)11/h3,5H,4H2,1-2H3.
What are the key properties of 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine?
3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine has a molecular weight of 177.17 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine is sourced from PubChem (CID 89996702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).