2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine

C7H4Br2F3N — CID 119005806

IUPAC2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
SMILESFc1cc(CBr)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H4Br2F3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2
InChIKeyHXQNHVMZGPMADZ-UHFFFAOYSA-N
MW318.92 g/mol
LogP3.82
Rot. Bonds2

About 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine

2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine (PubChem CID 119005806) has the molecular formula C7H4Br2F3N and a molecular weight of 318.92 g/mol. Its IUPAC name is 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine.

Molecular Properties

Compound Name2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
PubChem CID119005806
Molecular FormulaC7H4Br2F3N
Molecular Weight318.92 g/mol
Exact Mass316.87
IUPAC Name2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
SMILESFc1cc(CBr)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H4Br2F3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2
InChIKeyHXQNHVMZGPMADZ-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.92
LogP ≤ 53.82
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-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine 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

4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
[4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 130081862
2,4-dibromo-3-(difluoromethyl)-6-fluoropyridine
CID 118998950
6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130108794
4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815
2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
2-bromo-6-fluoro-4-methyl-3-propan-2-ylpyridine
CID 153298254

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine?
The IUPAC name of 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine (CID 119005806) is 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine.
What is the SMILES notation for 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine?
The canonical SMILES for 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine is Fc1cc(CBr)c(C(F)F)c(Br)n1.
What is the InChIKey of 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine?
The InChIKey is HXQNHVMZGPMADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3N/c8-2-3-1-4(10)13-6(9)5(3)7(11)12/h1,7H,2H2.
What are the key properties of 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine?
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine has a molecular weight of 318.92 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine is sourced from PubChem (CID 119005806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).