2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine

C13H9ClF3NO — CID 154074447

IUPAC2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc(CCl)nc2)cc1
InChIInChI=1S/C13H9ClF3NO/c14-7-11-4-1-10(8-18-11)9-2-5-12(6-3-9)19-13(15,16)17/h1-6,8H,7H2
InChIKeyWRLIJAMMGGOSTD-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.39
Rot. Bonds3

About 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine

2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 154074447) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID154074447
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc(CCl)nc2)cc1
InChIInChI=1S/C13H9ClF3NO/c14-7-11-4-1-10(8-18-11)9-2-5-12(6-3-9)19-13(15,16)17/h1-6,8H,7H2
InChIKeyWRLIJAMMGGOSTD-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
2,2-dimethyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-1-one
CID 118431522
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
4-[4-(trifluoromethoxy)phenyl]pyridazin-1-ium-1-amine iodide
CID 134543762
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 50928509

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine (CID 154074447) is 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1ccc(-c2ccc(CCl)nc2)cc1.
What is the InChIKey of 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is WRLIJAMMGGOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-7-11-4-1-10(8-18-11)9-2-5-12(6-3-9)19-13(15,16)17/h1-6,8H,7H2.
What are the key properties of 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine?
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 287.67 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 154074447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).