1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H11BrN2O3 — CID 2849233

IUPAC1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C11H11BrN2O3/c12-8-4-7(5-13-6-8)10(15)14-3-1-2-9(14)11(16)17/h4-6,9H,1-3H2,(H,16,17)
InChIKeyUHULSHPYMBDAHB-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.53
Rot. Bonds2

About 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 2849233) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID2849233
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cncc(Br)c1
InChIInChI=1S/C11H11BrN2O3/c12-8-4-7(5-13-6-8)10(15)14-3-1-2-9(14)11(16)17/h4-6,9H,1-3H2,(H,16,17)
InChIKeyUHULSHPYMBDAHB-UHFFFAOYSA-N
XLogP1.53
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 2849233) is 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UHULSHPYMBDAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c12-8-4-7(5-13-6-8)10(15)14-3-1-2-9(14)11(16)17/h4-6,9H,1-3H2,(H,16,17).
What are the key properties of 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 299.12 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2849233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).