4-chloro-2-ethyl-6-(trifluoromethyl)pyridine

C8H7ClF3N — CID 172992269

IUPAC4-chloro-2-ethyl-6-(trifluoromethyl)pyridine
SMILESCCc1cc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7ClF3N/c1-2-6-3-5(9)4-7(13-6)8(10,11)12/h3-4H,2H2,1H3
InChIKeyVMWGBTUUTBLHHB-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.32
Rot. Bonds1

About 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine

4-chloro-2-ethyl-6-(trifluoromethyl)pyridine (PubChem CID 172992269) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(trifluoromethyl)pyridine
PubChem CID172992269
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name4-chloro-2-ethyl-6-(trifluoromethyl)pyridine
SMILESCCc1cc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7ClF3N/c1-2-6-3-5(9)4-7(13-6)8(10,11)12/h3-4H,2H2,1H3
InChIKeyVMWGBTUUTBLHHB-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine (CID 172992269) is 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine is CCc1cc(Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine?
The InChIKey is VMWGBTUUTBLHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c1-2-6-3-5(9)4-7(13-6)8(10,11)12/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine?
4-chloro-2-ethyl-6-(trifluoromethyl)pyridine has a molecular weight of 209.60 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 172992269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).