6-bromo-2-methyl-3-(trifluoromethoxy)pyridine

C7H5BrF3NO — CID 130047357

IUPAC6-bromo-2-methyl-3-(trifluoromethoxy)pyridine
SMILESCc1nc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c1-4-5(13-7(9,10)11)2-3-6(8)12-4/h2-3H,1H3
InChIKeyABLVBZSSBUXLHN-UHFFFAOYSA-N
MW256.02 g/mol
LogP3.05
Rot. Bonds1

About 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine

6-bromo-2-methyl-3-(trifluoromethoxy)pyridine (PubChem CID 130047357) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-3-(trifluoromethoxy)pyridine
PubChem CID130047357
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name6-bromo-2-methyl-3-(trifluoromethoxy)pyridine
SMILESCc1nc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO/c1-4-5(13-7(9,10)11)2-3-6(8)12-4/h2-3H,1H3
InChIKeyABLVBZSSBUXLHN-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine?
The IUPAC name of 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine (CID 130047357) is 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine is Cc1nc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine?
The InChIKey is ABLVBZSSBUXLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-4-5(13-7(9,10)11)2-3-6(8)12-4/h2-3H,1H3.
What are the key properties of 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine?
6-bromo-2-methyl-3-(trifluoromethoxy)pyridine has a molecular weight of 256.02 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130047357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).