5-bromo-1-cyclopropyl-3-fluoropyridin-2-one

C8H7BrFNO — CID 167221006

IUPAC5-bromo-1-cyclopropyl-3-fluoropyridin-2-one
SMILESO=c1c(F)cc(Br)cn1C1CC1
InChIInChI=1S/C8H7BrFNO/c9-5-3-7(10)8(12)11(4-5)6-1-2-6/h3-4,6H,1-2H2
InChIKeyCGLXYLXVZGCFTH-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.08
Rot. Bonds1

About 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one

5-bromo-1-cyclopropyl-3-fluoropyridin-2-one (PubChem CID 167221006) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-cyclopropyl-3-fluoropyridin-2-one
PubChem CID167221006
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name5-bromo-1-cyclopropyl-3-fluoropyridin-2-one
SMILESO=c1c(F)cc(Br)cn1C1CC1
InChIInChI=1S/C8H7BrFNO/c9-5-3-7(10)8(12)11(4-5)6-1-2-6/h3-4,6H,1-2H2
InChIKeyCGLXYLXVZGCFTH-UHFFFAOYSA-N
XLogP2.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one?
The IUPAC name of 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one (CID 167221006) is 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one.
What is the SMILES notation for 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one?
The canonical SMILES for 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one is O=c1c(F)cc(Br)cn1C1CC1.
What is the InChIKey of 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one?
The InChIKey is CGLXYLXVZGCFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c9-5-3-7(10)8(12)11(4-5)6-1-2-6/h3-4,6H,1-2H2.
What are the key properties of 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one?
5-bromo-1-cyclopropyl-3-fluoropyridin-2-one has a molecular weight of 232.05 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopropyl-3-fluoropyridin-2-one is sourced from PubChem (CID 167221006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).