3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one

C8H6BrF2NO — CID 164554851

IUPAC3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one
SMILESO=c1c(Br)cccn1C1CC1(F)F
InChIInChI=1S/C8H6BrF2NO/c9-5-2-1-3-12(7(5)13)6-4-8(6,10)11/h1-3,6H,4H2
InChIKeyBLYCXDVGVAZIIQ-UHFFFAOYSA-N
MW250.04 g/mol
LogP2.19
Rot. Bonds1

About 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one

3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one (PubChem CID 164554851) has the molecular formula C8H6BrF2NO and a molecular weight of 250.04 g/mol. Its IUPAC name is 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one
PubChem CID164554851
Molecular FormulaC8H6BrF2NO
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one
SMILESO=c1c(Br)cccn1C1CC1(F)F
InChIInChI=1S/C8H6BrF2NO/c9-5-2-1-3-12(7(5)13)6-4-8(6,10)11/h1-3,6H,4H2
InChIKeyBLYCXDVGVAZIIQ-UHFFFAOYSA-N
XLogP2.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one (CID 164554851) is 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one is O=c1c(Br)cccn1C1CC1(F)F.
What is the InChIKey of 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one?
The InChIKey is BLYCXDVGVAZIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO/c9-5-2-1-3-12(7(5)13)6-4-8(6,10)11/h1-3,6H,4H2.
What are the key properties of 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one?
3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one has a molecular weight of 250.04 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,2-difluorocyclopropyl)pyridin-2-one is sourced from PubChem (CID 164554851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).