1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

C11H9BrN2O4 — CID 168691547

IUPAC1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=Cc1cc(Br)cnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H9BrN2O4/c12-8-1-7(5-15)10(13-3-8)14-4-6(11(17)18)2-9(14)16/h1,3,5-6H,2,4H2,(H,17,18)
InChIKeyYUQCFMLFIZOVGW-UHFFFAOYSA-N
MW313.11 g/mol
LogP1.09
Rot. Bonds3

About 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid

1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691547) has the molecular formula C11H9BrN2O4 and a molecular weight of 313.11 g/mol. Its IUPAC name is 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691547
Molecular FormulaC11H9BrN2O4
Molecular Weight313.11 g/mol
Exact Mass311.97
IUPAC Name1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=Cc1cc(Br)cnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H9BrN2O4/c12-8-1-7(5-15)10(13-3-8)14-4-6(11(17)18)2-9(14)16/h1,3,5-6H,2,4H2,(H,17,18)
InChIKeyYUQCFMLFIZOVGW-UHFFFAOYSA-N
XLogP1.09
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168691534
1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
5-bromo-2-(4-ethynyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168501919
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
5-bromo-2-(3,4-dimethylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 129253321
1-(2-amino-4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691824
1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
(3R)-1-(4-bromo-1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 125492023

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691547) is 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is O=Cc1cc(Br)cnc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YUQCFMLFIZOVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4/c12-8-1-7(5-15)10(13-3-8)14-4-6(11(17)18)2-9(14)16/h1,3,5-6H,2,4H2,(H,17,18).
What are the key properties of 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 313.11 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).