5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one

C8H7BrF3NO — CID 60746500

IUPAC5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCC(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c9-6-1-2-7(14)13(5-6)4-3-8(10,11)12/h1-2,5H,3-4H2
InChIKeyPQZFXONUVFBEEJ-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.56
Rot. Bonds2

About 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one

5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one (PubChem CID 60746500) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one
PubChem CID60746500
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCC(F)(F)F
InChIInChI=1S/C8H7BrF3NO/c9-6-1-2-7(14)13(5-6)4-3-8(10,11)12/h1-2,5H,3-4H2
InChIKeyPQZFXONUVFBEEJ-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one (CID 60746500) is 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one is O=c1ccc(Br)cn1CCC(F)(F)F.
What is the InChIKey of 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The InChIKey is PQZFXONUVFBEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-6-1-2-7(14)13(5-6)4-3-8(10,11)12/h1-2,5H,3-4H2.
What are the key properties of 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one?
5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one has a molecular weight of 270.05 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one is sourced from PubChem (CID 60746500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).