4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine

C8H8F3N — CID 146227635

IUPAC4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine
SMILESCC1=C=NC=C(C(F)(F)F)C1C
InChIInChI=1S/C8H8F3N/c1-5-3-12-4-7(6(5)2)8(9,10)11/h4,6H,1-2H3
InChIKeyDSHLEGHNWTXWTA-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.70
Rot. Bonds

About 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine

4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine (PubChem CID 146227635) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine.

Molecular Properties

Compound Name4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine
PubChem CID146227635
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine
SMILESCC1=C=NC=C(C(F)(F)F)C1C
InChIInChI=1S/C8H8F3N/c1-5-3-12-4-7(6(5)2)8(9,10)11/h4,6H,1-2H3
InChIKeyDSHLEGHNWTXWTA-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine?
The IUPAC name of 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine (CID 146227635) is 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine.
What is the SMILES notation for 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine?
The canonical SMILES for 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine is CC1=C=NC=C(C(F)(F)F)C1C.
What is the InChIKey of 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine?
The InChIKey is DSHLEGHNWTXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-5-3-12-4-7(6(5)2)8(9,10)11/h4,6H,1-2H3.
What are the key properties of 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine?
4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine has a molecular weight of 175.15 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine is sourced from PubChem (CID 146227635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).