3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione

C11H9Br2N3O2 — CID 159601525

IUPAC3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione
SMILESBrc1cnn2ccccc12.O=C1CCC(=O)N1Br
InChIInChI=1S/C7H5BrN2.C4H4BrNO2/c8-6-5-9-10-4-2-1-3-7(6)10;5-6-3(7)1-2-4(6)8/h1-5H;1-2H2
InChIKeyMLNURQDUMSVYKV-UHFFFAOYSA-N
MW375.02 g/mol
LogP2.54
Rot. Bonds

About 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione

3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione (PubChem CID 159601525) has the molecular formula C11H9Br2N3O2 and a molecular weight of 375.02 g/mol. Its IUPAC name is 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione
PubChem CID159601525
Molecular FormulaC11H9Br2N3O2
Molecular Weight375.02 g/mol
Exact Mass372.91
IUPAC Name3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione
SMILESBrc1cnn2ccccc12.O=C1CCC(=O)N1Br
InChIInChI=1S/C7H5BrN2.C4H4BrNO2/c8-6-5-9-10-4-2-1-3-7(6)10;5-6-3(7)1-2-4(6)8/h1-5H;1-2H2
InChIKeyMLNURQDUMSVYKV-UHFFFAOYSA-N
XLogP2.54
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.02
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione?
The IUPAC name of 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione (CID 159601525) is 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione.
What is the SMILES notation for 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione?
The canonical SMILES for 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione is Brc1cnn2ccccc12.O=C1CCC(=O)N1Br.
What is the InChIKey of 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione?
The InChIKey is MLNURQDUMSVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2.C4H4BrNO2/c8-6-5-9-10-4-2-1-3-7(6)10;5-6-3(7)1-2-4(6)8/h1-5H;1-2H2.
What are the key properties of 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione?
3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione has a molecular weight of 375.02 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyrazolo[1,5-a]pyridine;1-bromopyrrolidine-2,5-dione is sourced from PubChem (CID 159601525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).