1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine

C14H12BrN3O2 — CID 174842042

IUPAC1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine
SMILESO=C1CCC(=O)N1Br.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C4H4BrNO2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;5-6-3(7)1-2-4(6)8/h1-8H;1-2H2
InChIKeyDLALWQHYERUVRQ-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.59
Rot. Bonds1

About 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine

1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine (PubChem CID 174842042) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine
PubChem CID174842042
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine
SMILESO=C1CCC(=O)N1Br.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C4H4BrNO2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;5-6-3(7)1-2-4(6)8/h1-8H;1-2H2
InChIKeyDLALWQHYERUVRQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.59
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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Related Compounds

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2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
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CID 172833113
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2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
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Frequently Asked Questions

What is the IUPAC name of 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine?
The IUPAC name of 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine (CID 174842042) is 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine.
What is the SMILES notation for 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine?
The canonical SMILES for 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine is O=C1CCC(=O)N1Br.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine?
The InChIKey is DLALWQHYERUVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C4H4BrNO2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;5-6-3(7)1-2-4(6)8/h1-8H;1-2H2.
What are the key properties of 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine?
1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine has a molecular weight of 334.17 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine is sourced from PubChem (CID 174842042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).