4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine

C13H9ClF3N — CID 46316208

IUPAC4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(CCl)cc(-c2ccncc2)c1
InChIInChI=1S/C13H9ClF3N/c14-8-9-5-11(10-1-3-18-4-2-10)7-12(6-9)13(15,16)17/h1-7H,8H2
InChIKeyPADRIVCUBAKGQT-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.51
Rot. Bonds2

About 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine

4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 46316208) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine
PubChem CID46316208
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cc(CCl)cc(-c2ccncc2)c1
InChIInChI=1S/C13H9ClF3N/c14-8-9-5-11(10-1-3-18-4-2-10)7-12(6-9)13(15,16)17/h1-7H,8H2
InChIKeyPADRIVCUBAKGQT-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 54.51
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 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine (CID 46316208) is 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(CCl)cc(-c2ccncc2)c1.
What is the InChIKey of 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PADRIVCUBAKGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-8-9-5-11(10-1-3-18-4-2-10)7-12(6-9)13(15,16)17/h1-7H,8H2.
What are the key properties of 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine?
4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 271.67 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46316208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).