2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine

C6H5BrF3N — CID 138708325

IUPAC2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=CC(Br)N1
InChIInChI=1S/C6H5BrF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3,5,11H
InChIKeyVAXWPGJZHFMVCV-UHFFFAOYSA-N
MW228.01 g/mol
LogP2.31
Rot. Bonds

About 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine

2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 138708325) has the molecular formula C6H5BrF3N and a molecular weight of 228.01 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID138708325
Molecular FormulaC6H5BrF3N
Molecular Weight228.01 g/mol
Exact Mass226.96
IUPAC Name2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=CC(Br)N1
InChIInChI=1S/C6H5BrF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3,5,11H
InChIKeyVAXWPGJZHFMVCV-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.01
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine (CID 138708325) is 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CC=CC(Br)N1.
What is the InChIKey of 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is VAXWPGJZHFMVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3,5,11H.
What are the key properties of 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine?
2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 228.01 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 138708325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).