3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine

C7H4Br2F3N — CID 130109497

IUPAC3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine
SMILESFc1nc(CBr)c(Br)cc1C(F)F
InChIInChI=1S/C7H4Br2F3N/c8-2-5-4(9)1-3(6(10)11)7(12)13-5/h1,6H,2H2
InChIKeyDUEBDPVZOHDIGT-UHFFFAOYSA-N
MW318.92 g/mol
LogP3.82
Rot. Bonds2

About 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine

3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine (PubChem CID 130109497) has the molecular formula C7H4Br2F3N and a molecular weight of 318.92 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine
PubChem CID130109497
Molecular FormulaC7H4Br2F3N
Molecular Weight318.92 g/mol
Exact Mass316.87
IUPAC Name3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine
SMILESFc1nc(CBr)c(Br)cc1C(F)F
InChIInChI=1S/C7H4Br2F3N/c8-2-5-4(9)1-3(6(10)11)7(12)13-5/h1,6H,2H2
InChIKeyDUEBDPVZOHDIGT-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'}

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Related Compounds

5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
3-bromo-5-(difluoromethyl)-6-fluoropyridin-2-amine
CID 118999087
3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 130109712
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
CID 130068744
ethyl 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134674901
5-(bromomethyl)-3-(difluoromethyl)-2-fluoro-6-nitropyridine
CID 130081415
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
6-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 119002293
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine?
The IUPAC name of 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine (CID 130109497) is 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine?
The canonical SMILES for 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine is Fc1nc(CBr)c(Br)cc1C(F)F.
What is the InChIKey of 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine?
The InChIKey is DUEBDPVZOHDIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3N/c8-2-5-4(9)1-3(6(10)11)7(12)13-5/h1,6H,2H2.
What are the key properties of 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine?
3-bromo-2-(bromomethyl)-5-(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 3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine is sourced from PubChem (CID 130109497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).