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

C6H3BrF3NO — CID 118704107

IUPAC4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Br)c1C(F)(F)F
InChIInChI=1S/C6H3BrF3NO/c7-3-1-2-11-5(12)4(3)6(8,9)10/h1-2H,(H,11,12)
InChIKeyGZQBCTFWKLHESB-UHFFFAOYSA-N
MW241.99 g/mol
LogP2.16
Rot. Bonds

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

4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118704107) has the molecular formula C6H3BrF3NO and a molecular weight of 241.99 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118704107
Molecular FormulaC6H3BrF3NO
Molecular Weight241.99 g/mol
Exact Mass240.94
IUPAC Name4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Br)c1C(F)(F)F
InChIInChI=1S/C6H3BrF3NO/c7-3-1-2-11-5(12)4(3)6(8,9)10/h1-2H,(H,11,12)
InChIKeyGZQBCTFWKLHESB-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(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
CID 13491780
3-Bromo-4-fluoropyridin-2(1H)-one
CID 127263633
5-Bromo-4-(trifluoromethyl)pyridin-2-ol
CID 19996518
4-Bromo-3-methylpyridin-2-ol
CID 54122314
4-Fluoro-3-methylpyridin-2-ol
CID 72212936
4-Bromo-3-fluoropyridin-2-ol
CID 118839380
3,4-Bis(trifluoromethyl)-2-hydroxypyridine
CID 20429828
4-Chloro-2-hydroxy-3-(trifluoromethyl)pyridine
CID 53945305
3-Bromo-2-hydroxy-4-(trifluoromethyl)pyridine
CID 54246279
5-Bromo-3-(difluoromethyl)pyridin-2(1H)-one
CID 67979901
3-(Difluoromethyl)pyridin-2(1H)-one
CID 70397555

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one (CID 118704107) is 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(Br)c1C(F)(F)F.
What is the InChIKey of 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GZQBCTFWKLHESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO/c7-3-1-2-11-5(12)4(3)6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one?
4-bromo-3-(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 4-bromo-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118704107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).