5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid

C11H9BrN2O5 — CID 168691534

IUPAC5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H9BrN2O5/c12-6-2-7(11(18)19)9(13-3-6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4H2,(H,16,17)(H,18,19)
InChIKeyPBGUKFFVUITARW-UHFFFAOYSA-N
MW329.11 g/mol
LogP0.98
Rot. Bonds3

About 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid

5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 168691534) has the molecular formula C11H9BrN2O5 and a molecular weight of 329.11 g/mol. Its IUPAC name is 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID168691534
Molecular FormulaC11H9BrN2O5
Molecular Weight329.11 g/mol
Exact Mass327.97
IUPAC Name5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H9BrN2O5/c12-6-2-7(11(18)19)9(13-3-6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4H2,(H,16,17)(H,18,19)
InChIKeyPBGUKFFVUITARW-UHFFFAOYSA-N
XLogP0.98
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
5-bromo-2-(4-ethynyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168501919
1-(5-bromo-3-formyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691547
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-(4-carboxy-2-oxopyrrolidin-1-yl)-2-chloropyridine-4-carboxylic acid
CID 168691533
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(5-bromo-3-fluoro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703201
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
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
5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168698074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 168691534) is 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cc(Br)cnc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is PBGUKFFVUITARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O5/c12-6-2-7(11(18)19)9(13-3-6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4H2,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid?
5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 329.11 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 168691534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).