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

C8H10F3N — CID 162549664

IUPAC4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine
SMILESCC1(C)C=C(C(F)(F)F)N=CC1
InChIInChI=1S/C8H10F3N/c1-7(2)3-4-12-6(5-7)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyILJWKVNDUTXCJW-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.93
Rot. Bonds

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

4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine (PubChem CID 162549664) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine.

Molecular Properties

Compound Name4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine
PubChem CID162549664
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine
SMILESCC1(C)C=C(C(F)(F)F)N=CC1
InChIInChI=1S/C8H10F3N/c1-7(2)3-4-12-6(5-7)8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyILJWKVNDUTXCJW-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine?
The IUPAC name of 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine (CID 162549664) is 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine.
What is the SMILES notation for 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine?
The canonical SMILES for 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine is CC1(C)C=C(C(F)(F)F)N=CC1.
What is the InChIKey of 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine?
The InChIKey is ILJWKVNDUTXCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-7(2)3-4-12-6(5-7)8(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine?
4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine has a molecular weight of 177.17 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(trifluoromethyl)-3H-pyridine is sourced from PubChem (CID 162549664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).