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

C7H4Br2F3N — CID 130109492

IUPAC6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
SMILESFc1c(C(F)F)cc(Br)nc1CBr
InChIInChI=1S/C7H4Br2F3N/c8-2-4-6(10)3(7(11)12)1-5(9)13-4/h1,7H,2H2
InChIKeyGMWDWDLMIRCFGP-UHFFFAOYSA-N
MW318.92 g/mol
LogP3.82
Rot. Bonds2

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

6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine (PubChem CID 130109492) has the molecular formula C7H4Br2F3N and a molecular weight of 318.92 g/mol. Its IUPAC name is 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
PubChem CID130109492
Molecular FormulaC7H4Br2F3N
Molecular Weight318.92 g/mol
Exact Mass316.87
IUPAC Name6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
SMILESFc1c(C(F)F)cc(Br)nc1CBr
InChIInChI=1S/C7H4Br2F3N/c8-2-4-6(10)3(7(11)12)1-5(9)13-4/h1,7H,2H2
InChIKeyGMWDWDLMIRCFGP-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

6-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbaldehyde
CID 130081877
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine
CID 172578097
3-bromo-2-(bromomethyl)-5-(difluoromethyl)-6-fluoropyridine
CID 130109497
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
6-bromo-2-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070493
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine?
The IUPAC name of 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine (CID 130109492) is 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine.
What is the SMILES notation for 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine?
The canonical SMILES for 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine is Fc1c(C(F)F)cc(Br)nc1CBr.
What is the InChIKey of 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine?
The InChIKey is GMWDWDLMIRCFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3N/c8-2-4-6(10)3(7(11)12)1-5(9)13-4/h1,7H,2H2.
What are the key properties of 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine?
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-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 6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine is sourced from PubChem (CID 130109492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).