3-bromo-1-(3-fluoropropyl)pyridin-2-one

C8H9BrFNO — CID 114761161

IUPAC3-bromo-1-(3-fluoropropyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CCCF
InChIInChI=1S/C8H9BrFNO/c9-7-3-1-5-11(8(7)12)6-2-4-10/h1,3,5H,2,4,6H2
InChIKeyAGPGOFRJHFYODC-UHFFFAOYSA-N
MW234.07 g/mol
LogP1.97
Rot. Bonds3

About 3-bromo-1-(3-fluoropropyl)pyridin-2-one

3-bromo-1-(3-fluoropropyl)pyridin-2-one (PubChem CID 114761161) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 3-bromo-1-(3-fluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(3-fluoropropyl)pyridin-2-one
PubChem CID114761161
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name3-bromo-1-(3-fluoropropyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CCCF
InChIInChI=1S/C8H9BrFNO/c9-7-3-1-5-11(8(7)12)6-2-4-10/h1,3,5H,2,4,6H2
InChIKeyAGPGOFRJHFYODC-UHFFFAOYSA-N
XLogP1.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-fluoropropyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(3-fluoropropyl)pyridin-2-one (CID 114761161) is 3-bromo-1-(3-fluoropropyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(3-fluoropropyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(3-fluoropropyl)pyridin-2-one is O=c1c(Br)cccn1CCCF.
What is the InChIKey of 3-bromo-1-(3-fluoropropyl)pyridin-2-one?
The InChIKey is AGPGOFRJHFYODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-7-3-1-5-11(8(7)12)6-2-4-10/h1,3,5H,2,4,6H2.
What are the key properties of 3-bromo-1-(3-fluoropropyl)pyridin-2-one?
3-bromo-1-(3-fluoropropyl)pyridin-2-one has a molecular weight of 234.07 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-fluoropropyl)pyridin-2-one is sourced from PubChem (CID 114761161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).