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

C6H3BrF3NO — CID 54246279

IUPAC3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1Br
InChIInChI=1S/C6H3BrF3NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12)
InChIKeyQTMMEPGVXIAKFQ-UHFFFAOYSA-N
MW241.99 g/mol
LogP2.16
Rot. Bonds

About 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one

3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 54246279) has the molecular formula C6H3BrF3NO and a molecular weight of 241.99 g/mol. Its IUPAC name is 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID54246279
Molecular FormulaC6H3BrF3NO
Molecular Weight241.99 g/mol
Exact Mass240.94
IUPAC Name3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1Br
InChIInChI=1S/C6H3BrF3NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12)
InChIKeyQTMMEPGVXIAKFQ-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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Related Compounds

2-Hydroxy-4-(trifluoromethyl)pyridine
CID 2775130
3-Bromo-4-fluoropyridin-2(1H)-one
CID 127263633
3-Bromo-5-(trifluoromethyl)pyridin-2(1H)-one
CID 13491775
3-Bromo-4-methylpyridin-2-ol
CID 13463813
5-Bromo-4-(trifluoromethyl)pyridin-2-ol
CID 19996518
3-Fluoro-4-(trifluoromethyl)pyridin-2-ol
CID 53435090
4-Bromo-3-fluoropyridin-2-ol
CID 118839380
3,5-Dibromo-4-(trifluoromethyl)pyridin-2-ol
CID 20152366
3,4-Bis(trifluoromethyl)-2-hydroxypyridine
CID 20429828
4-(Difluoromethyl)pyridin-2-ol
CID 84762854
3,5-dibromo-4-(difluoromethyl)-1H-pyridin-2-one
CID 91200929
5-Bromo-4-(difluoromethyl)pyridin-2-ol
CID 118989703

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one (CID 54246279) is 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(C(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QTMMEPGVXIAKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12).
What are the key properties of 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one?
3-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 3-bromo-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 54246279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).