2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane

C9H11ClF3N — CID 145468613

IUPAC2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane
SMILESCC.Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3N.C2H6/c1-4-2-5(7(9,10)11)12-6(8)3-4;1-2/h2-3H,1H3;1-2H3
InChIKeyAKHLDFKIJVIHLT-UHFFFAOYSA-N
MW225.64 g/mol
LogP4.09
Rot. Bonds

About 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane

2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane (PubChem CID 145468613) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane
PubChem CID145468613
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane
SMILESCC.Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C7H5ClF3N.C2H6/c1-4-2-5(7(9,10)11)12-6(8)3-4;1-2/h2-3H,1H3;1-2H3
InChIKeyAKHLDFKIJVIHLT-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane?
The IUPAC name of 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane (CID 145468613) is 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane.
What is the SMILES notation for 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane?
The canonical SMILES for 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane is CC.Cc1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane?
The InChIKey is AKHLDFKIJVIHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N.C2H6/c1-4-2-5(7(9,10)11)12-6(8)3-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane?
2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane has a molecular weight of 225.64 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane is sourced from PubChem (CID 145468613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).