6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine

C7H5BrClF2N — CID 130095122

IUPAC6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
SMILESFC(F)c1ccc(Br)nc1CCl
InChIInChI=1S/C7H5BrClF2N/c8-6-2-1-4(7(10)11)5(3-9)12-6/h1-2,7H,3H2
InChIKeyLWJKMQXZARNFGU-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.52
Rot. Bonds2

About 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine

6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine (PubChem CID 130095122) has the molecular formula C7H5BrClF2N and a molecular weight of 256.48 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
PubChem CID130095122
Molecular FormulaC7H5BrClF2N
Molecular Weight256.48 g/mol
Exact Mass254.93
IUPAC Name6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
SMILESFC(F)c1ccc(Br)nc1CCl
InChIInChI=1S/C7H5BrClF2N/c8-6-2-1-4(7(10)11)5(3-9)12-6/h1-2,7H,3H2
InChIKeyLWJKMQXZARNFGU-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine (CID 130095122) is 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine is FC(F)c1ccc(Br)nc1CCl.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine?
The InChIKey is LWJKMQXZARNFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2N/c8-6-2-1-4(7(10)11)5(3-9)12-6/h1-2,7H,3H2.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine?
6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine has a molecular weight of 256.48 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine is sourced from PubChem (CID 130095122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).