2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine

C10H11ClF3N — CID 176930322

IUPAC2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cnc(CCl)cc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-6(2)8-5-15-7(4-11)3-9(8)10(12,13)14/h3,5-6H,4H2,1-2H3
InChIKeyGRWZJPLZJSQXAZ-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.96
Rot. Bonds2

About 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine

2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 176930322) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID176930322
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cnc(CCl)cc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-6(2)8-5-15-7(4-11)3-9(8)10(12,13)14/h3,5-6H,4H2,1-2H3
InChIKeyGRWZJPLZJSQXAZ-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.96
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 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine (CID 176930322) is 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine is CC(C)c1cnc(CCl)cc1C(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is GRWZJPLZJSQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-6(2)8-5-15-7(4-11)3-9(8)10(12,13)14/h3,5-6H,4H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine?
2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 237.65 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 176930322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).