5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

C11H13BrN2O2 — CID 104811047

IUPAC5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(Cc2ccc(Br)cn2)N1
InChIInChI=1S/C11H13BrN2O2/c12-7-1-2-8(13-6-7)5-9-3-4-10(14-9)11(15)16/h1-2,6,9-10,14H,3-5H2,(H,15,16)
InChIKeyZVVATQDDJXTGAT-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.59
Rot. Bonds3

About 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 104811047) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID104811047
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(Cc2ccc(Br)cn2)N1
InChIInChI=1S/C11H13BrN2O2/c12-7-1-2-8(13-6-7)5-9-3-4-10(14-9)11(15)16/h1-2,6,9-10,14H,3-5H2,(H,15,16)
InChIKeyZVVATQDDJXTGAT-UHFFFAOYSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (CID 104811047) is 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(Cc2ccc(Br)cn2)N1.
What is the InChIKey of 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZVVATQDDJXTGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-7-1-2-8(13-6-7)5-9-3-4-10(14-9)11(15)16/h1-2,6,9-10,14H,3-5H2,(H,15,16).
What are the key properties of 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.14 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104811047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).