1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one

C9H8BrN3O2 — CID 107518186

IUPAC1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C9H8BrN3O2/c10-6-2-1-3-11-7(6)8(14)13-5-4-12-9(13)15/h1-3H,4-5H2,(H,12,15)
InChIKeyFCIIZKQUWBHFLL-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.01
Rot. Bonds1

About 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one

1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one (PubChem CID 107518186) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one
PubChem CID107518186
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one
SMILESO=C1NCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C9H8BrN3O2/c10-6-2-1-3-11-7(6)8(14)13-5-4-12-9(13)15/h1-3H,4-5H2,(H,12,15)
InChIKeyFCIIZKQUWBHFLL-UHFFFAOYSA-N
XLogP1.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one (CID 107518186) is 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one is O=C1NCCN1C(=O)c1ncccc1Br.
What is the InChIKey of 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one?
The InChIKey is FCIIZKQUWBHFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c10-6-2-1-3-11-7(6)8(14)13-5-4-12-9(13)15/h1-3H,4-5H2,(H,12,15).
What are the key properties of 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one?
1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one has a molecular weight of 270.09 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopyridine-2-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 107518186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).