5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one

C6H3BrF3NO — CID 19996518

IUPAC5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(Br)c[nH]1
InChIInChI=1S/C6H3BrF3NO/c7-4-2-11-5(12)1-3(4)6(8,9)10/h1-2H,(H,11,12)
InChIKeyYTZVETQYEBOYJY-UHFFFAOYSA-N
MW241.99 g/mol
LogP2.16
Rot. Bonds

About 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one

5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 19996518) has the molecular formula C6H3BrF3NO and a molecular weight of 241.99 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID19996518
Molecular FormulaC6H3BrF3NO
Molecular Weight241.99 g/mol
Exact Mass240.94
IUPAC Name5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(Br)c[nH]1
InChIInChI=1S/C6H3BrF3NO/c7-4-2-11-5(12)1-3(4)6(8,9)10/h1-2H,(H,11,12)
InChIKeyYTZVETQYEBOYJY-UHFFFAOYSA-N
XLogP2.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.99
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one (CID 19996518) is 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(Br)c[nH]1.
What is the InChIKey of 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is YTZVETQYEBOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO/c7-4-2-11-5(12)1-3(4)6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one?
5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 241.99 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 19996518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).