6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine

C8H9ClF3N — CID 126670999

IUPAC6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCCC1C=CC(C(F)(F)F)=C(Cl)N1
InChIInChI=1S/C8H9ClF3N/c1-2-5-3-4-6(7(9)13-5)8(10,11)12/h3-5,13H,2H2,1H3
InChIKeyGISAPJAADFVEQJ-UHFFFAOYSA-N
MW211.61 g/mol
LogP2.94
Rot. Bonds1

About 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine

6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 126670999) has the molecular formula C8H9ClF3N and a molecular weight of 211.61 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID126670999
Molecular FormulaC8H9ClF3N
Molecular Weight211.61 g/mol
Exact Mass211.04
IUPAC Name6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCCC1C=CC(C(F)(F)F)=C(Cl)N1
InChIInChI=1S/C8H9ClF3N/c1-2-5-3-4-6(7(9)13-5)8(10,11)12/h3-5,13H,2H2,1H3
InChIKeyGISAPJAADFVEQJ-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine (CID 126670999) is 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine is CCC1C=CC(C(F)(F)F)=C(Cl)N1.
What is the InChIKey of 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is GISAPJAADFVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N/c1-2-5-3-4-6(7(9)13-5)8(10,11)12/h3-5,13H,2H2,1H3.
What are the key properties of 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine?
6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 211.61 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 126670999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).