4-(2-bromopyridine-3-carbonyl)piperazin-2-one

C10H10BrN3O2 — CID 103753853

IUPAC4-(2-bromopyridine-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cccnc2Br)CCN1
InChIInChI=1S/C10H10BrN3O2/c11-9-7(2-1-3-13-9)10(16)14-5-4-12-8(15)6-14/h1-3H,4-6H2,(H,12,15)
InChIKeyWPJOEUOSUONTQF-UHFFFAOYSA-N
MW284.11 g/mol
LogP0.42
Rot. Bonds1

About 4-(2-bromopyridine-3-carbonyl)piperazin-2-one

4-(2-bromopyridine-3-carbonyl)piperazin-2-one (PubChem CID 103753853) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-(2-bromopyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-bromopyridine-3-carbonyl)piperazin-2-one
PubChem CID103753853
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name4-(2-bromopyridine-3-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cccnc2Br)CCN1
InChIInChI=1S/C10H10BrN3O2/c11-9-7(2-1-3-13-9)10(16)14-5-4-12-8(15)6-14/h1-3H,4-6H2,(H,12,15)
InChIKeyWPJOEUOSUONTQF-UHFFFAOYSA-N
XLogP0.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
CID 62898516
1-(2-chloropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 60708067
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
1-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 114037699
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(3-methyl-2-nitrobenzoyl)piperazin-2-one
CID 31094939
1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 103755201
4-(2-aminopyridine-3-carbonyl)piperazine-2,6-dione
CID 66061658
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(2-bromopyridine-3-carbonyl)piperazin-2-one (CID 103753853) is 4-(2-bromopyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(2-bromopyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(2-bromopyridine-3-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2cccnc2Br)CCN1.
What is the InChIKey of 4-(2-bromopyridine-3-carbonyl)piperazin-2-one?
The InChIKey is WPJOEUOSUONTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-9-7(2-1-3-13-9)10(16)14-5-4-12-8(15)6-14/h1-3H,4-6H2,(H,12,15).
What are the key properties of 4-(2-bromopyridine-3-carbonyl)piperazin-2-one?
4-(2-bromopyridine-3-carbonyl)piperazin-2-one has a molecular weight of 284.11 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 103753853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).