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

C8H4BrF5INO — CID 118838243

IUPAC2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)c1nc(CBr)c(OC(F)(F)F)cc1I
InChIInChI=1S/C8H4BrF5INO/c9-2-4-5(17-8(12,13)14)1-3(15)6(16-4)7(10)11/h1,7H,2H2
InChIKeyPYDGLSGVNSJROU-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.42
Rot. Bonds3

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

2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine (PubChem CID 118838243) has the molecular formula C8H4BrF5INO and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
PubChem CID118838243
Molecular FormulaC8H4BrF5INO
Molecular Weight431.92 g/mol
Exact Mass430.84
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)c1nc(CBr)c(OC(F)(F)F)cc1I
InChIInChI=1S/C8H4BrF5INO/c9-2-4-5(17-8(12,13)14)1-3(15)6(16-4)7(10)11/h1,7H,2H2
InChIKeyPYDGLSGVNSJROU-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118826147
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118804402
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
methyl 2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668956
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
methyl 2-[6-(bromomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682476
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118842664
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 118808662

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine (CID 118838243) is 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine is FC(F)c1nc(CBr)c(OC(F)(F)F)cc1I.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine?
The InChIKey is PYDGLSGVNSJROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5INO/c9-2-4-5(17-8(12,13)14)1-3(15)6(16-4)7(10)11/h1,7H,2H2.
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine?
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine has a molecular weight of 431.92 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118838243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).