5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine

C8H9F4N — CID 155001346

IUPAC5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine
SMILESCC1=C(F)C=C(C(F)(F)F)CN1C
InChIInChI=1S/C8H9F4N/c1-5-7(9)3-6(4-13(5)2)8(10,11)12/h3H,4H2,1-2H3
InChIKeyWEUHDUMIYOIMMT-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.62
Rot. Bonds

About 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine

5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine (PubChem CID 155001346) has the molecular formula C8H9F4N and a molecular weight of 195.16 g/mol. Its IUPAC name is 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine
PubChem CID155001346
Molecular FormulaC8H9F4N
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine
SMILESCC1=C(F)C=C(C(F)(F)F)CN1C
InChIInChI=1S/C8H9F4N/c1-5-7(9)3-6(4-13(5)2)8(10,11)12/h3H,4H2,1-2H3
InChIKeyWEUHDUMIYOIMMT-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine (CID 155001346) is 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine is CC1=C(F)C=C(C(F)(F)F)CN1C.
What is the InChIKey of 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine?
The InChIKey is WEUHDUMIYOIMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N/c1-5-7(9)3-6(4-13(5)2)8(10,11)12/h3H,4H2,1-2H3.
What are the key properties of 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine?
5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine has a molecular weight of 195.16 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 155001346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).