2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine

C10H14F3N — CID 123161901

IUPAC2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
SMILESCCC1C=C(C(F)(F)F)C=C(C)N1C
InChIInChI=1S/C10H14F3N/c1-4-9-6-8(10(11,12)13)5-7(2)14(9)3/h5-6,9H,4H2,1-3H3
InChIKeyZROPHIGRVGZTOO-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.10
Rot. Bonds1

About 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine

2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine (PubChem CID 123161901) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
PubChem CID123161901
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
SMILESCCC1C=C(C(F)(F)F)C=C(C)N1C
InChIInChI=1S/C10H14F3N/c1-4-9-6-8(10(11,12)13)5-7(2)14(9)3/h5-6,9H,4H2,1-3H3
InChIKeyZROPHIGRVGZTOO-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine (CID 123161901) is 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine is CCC1C=C(C(F)(F)F)C=C(C)N1C.
What is the InChIKey of 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine?
The InChIKey is ZROPHIGRVGZTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-9-6-8(10(11,12)13)5-7(2)14(9)3/h5-6,9H,4H2,1-3H3.
What are the key properties of 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine?
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine has a molecular weight of 205.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 123161901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).