2-bromo-3-methoxy-6-(trifluoromethyl)pyridine

C7H5BrF3NO — CID 22000193

IUPAC2-bromo-3-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(C(F)(F)F)nc1Br
InChIInChI=1S/C7H5BrF3NO/c1-13-4-2-3-5(7(9,10)11)12-6(4)8/h2-3H,1H3
InChIKeyLJIJCQSWRJSNKR-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.87
Rot. Bonds1

About 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine

2-bromo-3-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 22000193) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-methoxy-6-(trifluoromethyl)pyridine
PubChem CID22000193
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name2-bromo-3-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(C(F)(F)F)nc1Br
InChIInChI=1S/C7H5BrF3NO/c1-13-4-2-3-5(7(9,10)11)12-6(4)8/h2-3H,1H3
InChIKeyLJIJCQSWRJSNKR-UHFFFAOYSA-N
XLogP2.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine (CID 22000193) is 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine is COc1ccc(C(F)(F)F)nc1Br.
What is the InChIKey of 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is LJIJCQSWRJSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-13-4-2-3-5(7(9,10)11)12-6(4)8/h2-3H,1H3.
What are the key properties of 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine?
2-bromo-3-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 256.02 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 22000193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).