4-bromo-5-methyl-2-(trifluoromethyl)pyridine

C7H5BrF3N — CID 91757612

IUPAC4-bromo-5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cnc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H5BrF3N/c1-4-3-12-6(2-5(4)8)7(9,10)11/h2-3H,1H3
InChIKeyLZJDDJVGIIVJJG-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.17
Rot. Bonds

About 4-bromo-5-methyl-2-(trifluoromethyl)pyridine

4-bromo-5-methyl-2-(trifluoromethyl)pyridine (PubChem CID 91757612) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-5-methyl-2-(trifluoromethyl)pyridine
PubChem CID91757612
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name4-bromo-5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cnc(C(F)(F)F)cc1Br
InChIInChI=1S/C7H5BrF3N/c1-4-3-12-6(2-5(4)8)7(9,10)11/h2-3H,1H3
InChIKeyLZJDDJVGIIVJJG-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-5-methyl-2-(trifluoromethyl)pyridine (CID 91757612) is 4-bromo-5-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-5-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-5-methyl-2-(trifluoromethyl)pyridine is Cc1cnc(C(F)(F)F)cc1Br.
What is the InChIKey of 4-bromo-5-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is LZJDDJVGIIVJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c1-4-3-12-6(2-5(4)8)7(9,10)11/h2-3H,1H3.
What are the key properties of 4-bromo-5-methyl-2-(trifluoromethyl)pyridine?
4-bromo-5-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 240.02 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 91757612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).