1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione

C9H5ClN2O2 — CID 2781068

IUPAC1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccnc1Cl
InChIInChI=1S/C9H5ClN2O2/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(12)14/h1-5H
InChIKeyJVJJPDZQLVCNFU-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.16
Rot. Bonds1

About 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione

1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione (PubChem CID 2781068) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione
PubChem CID2781068
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccnc1Cl
InChIInChI=1S/C9H5ClN2O2/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(12)14/h1-5H
InChIKeyJVJJPDZQLVCNFU-UHFFFAOYSA-N
XLogP1.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione (CID 2781068) is 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione?
The InChIKey is JVJJPDZQLVCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(12)14/h1-5H.
What are the key properties of 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione?
1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione has a molecular weight of 208.60 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)pyrrole-2,5-dione is sourced from PubChem (CID 2781068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).