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

C7H2BrClF5N — CID 118995680

IUPAC2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(C(F)(F)F)nc(Br)c1Cl
InChIInChI=1S/C7H2BrClF5N/c8-5-4(9)2(6(10)11)1-3(15-5)7(12,13)14/h1,6H
InChIKeyXJOVZTYSRAHKMQ-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.45
Rot. Bonds1

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

2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine (PubChem CID 118995680) has the molecular formula C7H2BrClF5N and a molecular weight of 310.45 g/mol. Its IUPAC name is 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
PubChem CID118995680
Molecular FormulaC7H2BrClF5N
Molecular Weight310.45 g/mol
Exact Mass308.90
IUPAC Name2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(C(F)(F)F)nc(Br)c1Cl
InChIInChI=1S/C7H2BrClF5N/c8-5-4(9)2(6(10)11)1-3(15-5)7(12,13)14/h1,6H
InChIKeyXJOVZTYSRAHKMQ-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3-chloro-4-(difluoromethyl)-6-(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-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
CID 119004848
methyl 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134674827
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130070871
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
2-bromo-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271
2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130071216
2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524
ethyl 3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134664378
2-chloro-4-(difluoromethyl)-3-nitro-6-(trifluoromethyl)pyridine
CID 118993647
3-(chloromethyl)-4-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082120
2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 171009202
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine (CID 118995680) is 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine is FC(F)c1cc(C(F)(F)F)nc(Br)c1Cl.
What is the InChIKey of 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine?
The InChIKey is XJOVZTYSRAHKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF5N/c8-5-4(9)2(6(10)11)1-3(15-5)7(12,13)14/h1,6H.
What are the key properties of 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine?
2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine has a molecular weight of 310.45 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118995680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).