3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine

C8H4ClF5INO — CID 134679264

IUPAC3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
SMILESFC(F)c1nc(I)c(OC(F)(F)F)cc1CCl
InChIInChI=1S/C8H4ClF5INO/c9-2-3-1-4(17-8(12,13)14)7(15)16-5(3)6(10)11/h1,6H,2H2
InChIKeyWEXMUWMZOBBSOY-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.26
Rot. Bonds3

About 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine

3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine (PubChem CID 134679264) has the molecular formula C8H4ClF5INO and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
PubChem CID134679264
Molecular FormulaC8H4ClF5INO
Molecular Weight387.47 g/mol
Exact Mass386.89
IUPAC Name3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
SMILESFC(F)c1nc(I)c(OC(F)(F)F)cc1CCl
InChIInChI=1S/C8H4ClF5INO/c9-2-3-1-4(17-8(12,13)14)7(15)16-5(3)6(10)11/h1,6H,2H2
InChIKeyWEXMUWMZOBBSOY-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
methyl 2-[2-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679997
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
methyl 5-(chloromethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663471
[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118826147
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
methyl 5-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682597
2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134670584
methyl 2-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
5-(chloromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 130092462

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine (CID 134679264) is 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine is FC(F)c1nc(I)c(OC(F)(F)F)cc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine?
The InChIKey is WEXMUWMZOBBSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF5INO/c9-2-3-1-4(17-8(12,13)14)7(15)16-5(3)6(10)11/h1,6H,2H2.
What are the key properties of 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine?
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine has a molecular weight of 387.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134679264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).