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

C13H9ClF3N — CID 46316213

IUPAC3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cccnc2)cc1CCl
InChIInChI=1S/C13H9ClF3N/c14-7-11-6-9(10-2-1-5-18-8-10)3-4-12(11)13(15,16)17/h1-6,8H,7H2
InChIKeyDRAFOHXQDBAOJM-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.51
Rot. Bonds2

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

3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 46316213) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
PubChem CID46316213
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cccnc2)cc1CCl
InChIInChI=1S/C13H9ClF3N/c14-7-11-6-9(10-2-1-5-18-8-10)3-4-12(11)13(15,16)17/h1-6,8H,7H2
InChIKeyDRAFOHXQDBAOJM-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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Related Compounds

3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
CID 46316472
3-[2-(chloromethyl)-5-pyridin-3-ylphenyl]pyridine
CID 46316469
3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
CID 174511445
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
CID 46317075
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline
CID 143888698
2-(bromomethyl)-5-pyridin-3-yl-3-(trifluoromethyl)pyridine
CID 131869904
[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870150
4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole
CID 65240203
4-(chloromethyl)-5-fluoro-2-pyridin-3-ylpyridine
CID 118822538

Frequently Asked Questions

What is the IUPAC name of 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine (CID 46316213) is 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cccnc2)cc1CCl.
What is the InChIKey of 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is DRAFOHXQDBAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-7-11-6-9(10-2-1-5-18-8-10)3-4-12(11)13(15,16)17/h1-6,8H,7H2.
What are the key properties of 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine?
3-[3-(chloromethyl)-4-(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 3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 46316213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).