6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine

C8H4BrClF5N — CID 130070493

IUPAC6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(Br)nc(CCl)c1C(F)(F)F
InChIInChI=1S/C8H4BrClF5N/c9-5-1-3(7(11)12)6(8(13,14)15)4(2-10)16-5/h1,7H,2H2
InChIKeyNSJZJWMDEYEYJU-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.54
Rot. Bonds2

About 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine

6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine (PubChem CID 130070493) has the molecular formula C8H4BrClF5N and a molecular weight of 324.47 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
PubChem CID130070493
Molecular FormulaC8H4BrClF5N
Molecular Weight324.47 g/mol
Exact Mass322.91
IUPAC Name6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(Br)nc(CCl)c1C(F)(F)F
InChIInChI=1S/C8H4BrClF5N/c9-5-1-3(7(11)12)6(8(13,14)15)4(2-10)16-5/h1,7H,2H2
InChIKeyNSJZJWMDEYEYJU-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 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(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

6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118838127
6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 118995559
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 130095122
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 130069997
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392
6-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070176
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine (CID 130070493) is 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine is FC(F)c1cc(Br)nc(CCl)c1C(F)(F)F.
What is the InChIKey of 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine?
The InChIKey is NSJZJWMDEYEYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF5N/c9-5-1-3(7(11)12)6(8(13,14)15)4(2-10)16-5/h1,7H,2H2.
What are the key properties of 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine?
6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(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 6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130070493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).