(2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate

C10H8N2O4 — CID 870586

IUPAC(2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cccnc1
InChIInChI=1S/C10H8N2O4/c13-8-3-4-9(14)12(8)16-10(15)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2
InChIKeyCWBHSNGMXKJGSM-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.30
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate (PubChem CID 870586) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate
PubChem CID870586
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1cccnc1
InChIInChI=1S/C10H8N2O4/c13-8-3-4-9(14)12(8)16-10(15)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2
InChIKeyCWBHSNGMXKJGSM-UHFFFAOYSA-N
XLogP0.30
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 938
CID 938
CID 5570
CID 5570
CID 7151
CID 7151
CID 69188
CID 69188
CID 16976
CID 16976
CID 937
CID 937
CID 9909912
CID 9909912
CID 81353
CID 81353
CID 16098
CID 16098
CID 23687810
CID 23687810
CID 96089
CID 96089
CID 71558
CID 71558

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate (CID 870586) is (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate is O=C(ON1C(=O)CCC1=O)c1cccnc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate?
The InChIKey is CWBHSNGMXKJGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-8-3-4-9(14)12(8)16-10(15)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate has a molecular weight of 220.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate is sourced from PubChem (CID 870586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).