3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine

C7H4Br2F3N — CID 130109494

IUPAC3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
SMILESFc1cnc(CBr)c(Br)c1C(F)F
InChIInChI=1S/C7H4Br2F3N/c8-1-4-6(9)5(7(11)12)3(10)2-13-4/h2,7H,1H2
InChIKeyXISZMCSACZXCGK-UHFFFAOYSA-N
MW318.92 g/mol
LogP3.82
Rot. Bonds2

About 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine

3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine (PubChem CID 130109494) has the molecular formula C7H4Br2F3N and a molecular weight of 318.92 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
PubChem CID130109494
Molecular FormulaC7H4Br2F3N
Molecular Weight318.92 g/mol
Exact Mass316.87
IUPAC Name3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
SMILESFc1cnc(CBr)c(Br)c1C(F)F
InChIInChI=1S/C7H4Br2F3N/c8-1-4-6(9)5(7(11)12)3(10)2-13-4/h2,7H,1H2
InChIKeyXISZMCSACZXCGK-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 118855098
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
2-[2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 130081759
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130109704
[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
CID 130099744
2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130081801
3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130080624

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine?
The IUPAC name of 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine (CID 130109494) is 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine?
The canonical SMILES for 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine is Fc1cnc(CBr)c(Br)c1C(F)F.
What is the InChIKey of 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine?
The InChIKey is XISZMCSACZXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3N/c8-1-4-6(9)5(7(11)12)3(10)2-13-4/h2,7H,1H2.
What are the key properties of 3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine?
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-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)-4-(difluoromethyl)-5-fluoropyridine is sourced from PubChem (CID 130109494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).