1-(5-bromopyrimidin-2-yl)pyridin-2-one

C9H6BrN3O — CID 124702284

IUPAC1-(5-bromopyrimidin-2-yl)pyridin-2-one
SMILESO=c1ccccn1-c1ncc(Br)cn1
InChIInChI=1S/C9H6BrN3O/c10-7-5-11-9(12-6-7)13-4-2-1-3-8(13)14/h1-6H
InChIKeyHFECIRYSAZRQGN-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.39
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)pyridin-2-one

1-(5-bromopyrimidin-2-yl)pyridin-2-one (PubChem CID 124702284) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)pyridin-2-one
PubChem CID124702284
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name1-(5-bromopyrimidin-2-yl)pyridin-2-one
SMILESO=c1ccccn1-c1ncc(Br)cn1
InChIInChI=1S/C9H6BrN3O/c10-7-5-11-9(12-6-7)13-4-2-1-3-8(13)14/h1-6H
InChIKeyHFECIRYSAZRQGN-UHFFFAOYSA-N
XLogP1.39
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)pyridin-2-one?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)pyridin-2-one (CID 124702284) is 1-(5-bromopyrimidin-2-yl)pyridin-2-one.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)pyridin-2-one?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)pyridin-2-one is O=c1ccccn1-c1ncc(Br)cn1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)pyridin-2-one?
The InChIKey is HFECIRYSAZRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-7-5-11-9(12-6-7)13-4-2-1-3-8(13)14/h1-6H.
What are the key properties of 1-(5-bromopyrimidin-2-yl)pyridin-2-one?
1-(5-bromopyrimidin-2-yl)pyridin-2-one has a molecular weight of 252.07 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)pyridin-2-one is sourced from PubChem (CID 124702284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).