6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine

C12H7BrF4NO- — CID 126668873

IUPAC6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine
SMILES[O-]N1CC(F)=CC=C1c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H7BrF4NO/c13-10-3-1-7(12(15,16)17)5-9(10)11-4-2-8(14)6-18(11)19/h1-5H,6H2/q-1
InChIKeyLCEVVURIKSKLQW-UHFFFAOYSA-N
MW337.09 g/mol
LogP4.48
Rot. Bonds1

About 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine

6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine (PubChem CID 126668873) has the molecular formula C12H7BrF4NO- and a molecular weight of 337.09 g/mol. Its IUPAC name is 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine.

Molecular Properties

Compound Name6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine
PubChem CID126668873
Molecular FormulaC12H7BrF4NO-
Molecular Weight337.09 g/mol
Exact Mass335.97
IUPAC Name6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine
SMILES[O-]N1CC(F)=CC=C1c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H7BrF4NO/c13-10-3-1-7(12(15,16)17)5-9(10)11-4-2-8(14)6-18(11)19/h1-5H,6H2/q-1
InChIKeyLCEVVURIKSKLQW-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.09
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-Bromo-5-(trifluoromethyl)phenyl]methyl]-piperidine
CID 58734156
1-Bromo-4-(nitrosomethyl)-2-(2,2,2-trifluoroethyl)benzene
CID 123378007
1-Bromo-4-(nitrosomethyl)-2-(trifluoromethyl)benzene
CID 123924959
6-[2-Bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-1,2-dihydropyridin-1-ium
CID 126668872
[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]amino] cyanate
CID 141188498
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylpropan-1-amine
CID 143282104
[(1Z,3E)-1-[2-bromo-5-(trifluoromethyl)phenyl]-4-fluoropenta-1,3-dienyl]-methoxyazanium
CID 145268162
2-Bromo-N,N-diethyl-5-(trifluoromethyl)benzenemethanamine
CID 74889405
1-[[2-Bromo-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 74889946
2-Bromo-N,N-dimethyl-5-(trifluoromethyl)benzenemethanamine
CID 74890477
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
CID 81618104
N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
CID 81684958

Frequently Asked Questions

What is the IUPAC name of 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine?
The IUPAC name of 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine (CID 126668873) is 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine.
What is the SMILES notation for 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine?
The canonical SMILES for 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine is [O-]N1CC(F)=CC=C1c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine?
The InChIKey is LCEVVURIKSKLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF4NO/c13-10-3-1-7(12(15,16)17)5-9(10)11-4-2-8(14)6-18(11)19/h1-5H,6H2/q-1.
What are the key properties of 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine?
6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine has a molecular weight of 337.09 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-bromo-5-(trifluoromethyl)phenyl]-3-fluoro-1-oxido-2H-pyridine is sourced from PubChem (CID 126668873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).