2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine

C8H4BrClF5N — CID 119022475

IUPAC2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(C(F)(F)F)c(CCl)nc1Br
InChIInChI=1S/C8H4BrClF5N/c9-6-3(7(11)12)1-4(8(13,14)15)5(2-10)16-6/h1,7H,2H2
InChIKeyGMQOQLUYBQXYMH-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.54
Rot. Bonds2

About 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine

2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine (PubChem CID 119022475) has the molecular formula C8H4BrClF5N and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
PubChem CID119022475
Molecular FormulaC8H4BrClF5N
Molecular Weight324.47 g/mol
Exact Mass322.91
IUPAC Name2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(C(F)(F)F)c(CCl)nc1Br
InChIInChI=1S/C8H4BrClF5N/c9-6-3(7(11)12)1-4(8(13,14)15)5(2-10)16-6/h1,7H,2H2
InChIKeyGMQOQLUYBQXYMH-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364
6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070493
2-(chloromethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118815578
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
CID 130099019
2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
CID 119006485
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine (CID 119022475) is 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine is FC(F)c1cc(C(F)(F)F)c(CCl)nc1Br.
What is the InChIKey of 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is GMQOQLUYBQXYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF5N/c9-6-3(7(11)12)1-4(8(13,14)15)5(2-10)16-6/h1,7H,2H2.
What are the key properties of 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine?
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 324.47 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 119022475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).