5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one

C7H5BrF3NO — CID 67185916

IUPAC5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(Br)cc(C(F)(F)F)c1=O
InChIInChI=1S/C7H5BrF3NO/c1-12-3-4(8)2-5(6(12)13)7(9,10)11/h2-3H,1H3
InChIKeyUMVIWPJHQDHRMO-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.17
Rot. Bonds

About 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one

5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 67185916) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one
PubChem CID67185916
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(Br)cc(C(F)(F)F)c1=O
InChIInChI=1S/C7H5BrF3NO/c1-12-3-4(8)2-5(6(12)13)7(9,10)11/h2-3H,1H3
InChIKeyUMVIWPJHQDHRMO-UHFFFAOYSA-N
XLogP2.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one (CID 67185916) is 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one is Cn1cc(Br)cc(C(F)(F)F)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is UMVIWPJHQDHRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-12-3-4(8)2-5(6(12)13)7(9,10)11/h2-3H,1H3.
What are the key properties of 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one?
5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 256.02 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 67185916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).