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

C10H10BrN3O3 — CID 168692100

IUPAC1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1cc(Br)cnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H10BrN3O3/c11-6-2-7(12)9(13-3-6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4,12H2,(H,16,17)
InChIKeyZFPGYDVYDGEBAH-UHFFFAOYSA-N
MW300.11 g/mol
LogP0.86
Rot. Bonds2

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

1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168692100) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168692100
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESNc1cc(Br)cnc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H10BrN3O3/c11-6-2-7(12)9(13-3-6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4,12H2,(H,16,17)
InChIKeyZFPGYDVYDGEBAH-UHFFFAOYSA-N
XLogP0.86
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168691534
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-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
1-(2-amino-4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691824
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
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
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
(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-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168692100) is 1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is Nc1cc(Br)cnc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ZFPGYDVYDGEBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c11-6-2-7(12)9(13-3-6)14-4-5(10(16)17)1-8(14)15/h2-3,5H,1,4,12H2,(H,16,17).
What are the key properties of 1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 300.11 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168692100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).