2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine

C8H7ClF3NO — CID 62238846

IUPAC2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1cccc(CCl)n1
InChIInChI=1S/C8H7ClF3NO/c9-4-6-2-1-3-7(13-6)14-5-8(10,11)12/h1-3H,4-5H2
InChIKeyIEYZDBCFOKIMLA-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.76
Rot. Bonds3

About 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine

2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 62238846) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine
PubChem CID62238846
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1cccc(CCl)n1
InChIInChI=1S/C8H7ClF3NO/c9-4-6-2-1-3-7(13-6)14-5-8(10,11)12/h1-3H,4-5H2
InChIKeyIEYZDBCFOKIMLA-UHFFFAOYSA-N
XLogP2.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine (CID 62238846) is 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine is FC(F)(F)COc1cccc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is IEYZDBCFOKIMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-4-6-2-1-3-7(13-6)14-5-8(10,11)12/h1-3H,4-5H2.
What are the key properties of 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine?
2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 225.60 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 62238846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).