3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine

C7H4Br2F3N — CID 130951517

IUPAC3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(CBr)c1Br
InChIInChI=1S/C7H4Br2F3N/c8-3-5-6(9)4(1-2-13-5)7(10,11)12/h1-2H,3H2
InChIKeyLENHJWIBSLBCCO-UHFFFAOYSA-N
MW318.92 g/mol
LogP3.76
Rot. Bonds1

About 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine

3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine (PubChem CID 130951517) has the molecular formula C7H4Br2F3N and a molecular weight of 318.92 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine
PubChem CID130951517
Molecular FormulaC7H4Br2F3N
Molecular Weight318.92 g/mol
Exact Mass316.87
IUPAC Name3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(CBr)c1Br
InChIInChI=1S/C7H4Br2F3N/c8-3-5-6(9)4(1-2-13-5)7(10,11)12/h1-2H,3H2
InChIKeyLENHJWIBSLBCCO-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.92
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine (CID 130951517) is 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(CBr)c1Br.
What is the InChIKey of 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is LENHJWIBSLBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F3N/c8-3-5-6(9)4(1-2-13-5)7(10,11)12/h1-2H,3H2.
What are the key properties of 3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine?
3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine has a molecular weight of 318.92 g/mol, XLogP of 3.76, 1 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-(trifluoromethyl)pyridine is sourced from PubChem (CID 130951517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).