3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine

C8H10F3N — CID 162546318

IUPAC3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine
SMILESCC1(C)C=CC(C(F)(F)F)=NC1
InChIInChI=1S/C8H10F3N/c1-7(2)4-3-6(12-5-7)8(9,10)11/h3-4H,5H2,1-2H3
InChIKeyJRERRBLKSWBQNR-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.59
Rot. Bonds

About 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine

3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine (PubChem CID 162546318) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine
PubChem CID162546318
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine
SMILESCC1(C)C=CC(C(F)(F)F)=NC1
InChIInChI=1S/C8H10F3N/c1-7(2)4-3-6(12-5-7)8(9,10)11/h3-4H,5H2,1-2H3
InChIKeyJRERRBLKSWBQNR-UHFFFAOYSA-N
XLogP2.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine (CID 162546318) is 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine is CC1(C)C=CC(C(F)(F)F)=NC1.
What is the InChIKey of 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine?
The InChIKey is JRERRBLKSWBQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-7(2)4-3-6(12-5-7)8(9,10)11/h3-4H,5H2,1-2H3.
What are the key properties of 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine?
3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine has a molecular weight of 177.17 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 162546318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).