3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine

C8H4ClF6N — CID 131492152

IUPAC3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CCl)c(C(F)(F)F)n1
InChIInChI=1S/C8H4ClF6N/c9-3-4-1-2-5(7(10,11)12)16-6(4)8(13,14)15/h1-2H,3H2
InChIKeyZOPTUFILYAZWAB-UHFFFAOYSA-N
MW263.57 g/mol
LogP3.86
Rot. Bonds1

About 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine

3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine (PubChem CID 131492152) has the molecular formula C8H4ClF6N and a molecular weight of 263.57 g/mol. Its IUPAC name is 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine
PubChem CID131492152
Molecular FormulaC8H4ClF6N
Molecular Weight263.57 g/mol
Exact Mass262.99
IUPAC Name3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CCl)c(C(F)(F)F)n1
InChIInChI=1S/C8H4ClF6N/c9-3-4-1-2-5(7(10,11)12)16-6(4)8(13,14)15/h1-2H,3H2
InChIKeyZOPTUFILYAZWAB-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine (CID 131492152) is 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine is FC(F)(F)c1ccc(CCl)c(C(F)(F)F)n1.
What is the InChIKey of 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is ZOPTUFILYAZWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6N/c9-3-4-1-2-5(7(10,11)12)16-6(4)8(13,14)15/h1-2H,3H2.
What are the key properties of 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine?
3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 263.57 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 131492152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).