5-bromo-2-pyrrolidin-3-ylindazole

C11H12BrN3 — CID 169087490

IUPAC5-bromo-2-pyrrolidin-3-ylindazole
SMILESBrc1ccc2nn(C3CCNC3)cc2c1
InChIInChI=1S/C11H12BrN3/c12-9-1-2-11-8(5-9)7-15(14-11)10-3-4-13-6-10/h1-2,5,7,10,13H,3-4,6H2
InChIKeyIQMQUTUVSFARRV-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.33
Rot. Bonds1

About 5-bromo-2-pyrrolidin-3-ylindazole

5-bromo-2-pyrrolidin-3-ylindazole (PubChem CID 169087490) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-3-ylindazole.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-3-ylindazole
PubChem CID169087490
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name5-bromo-2-pyrrolidin-3-ylindazole
SMILESBrc1ccc2nn(C3CCNC3)cc2c1
InChIInChI=1S/C11H12BrN3/c12-9-1-2-11-8(5-9)7-15(14-11)10-3-4-13-6-10/h1-2,5,7,10,13H,3-4,6H2
InChIKeyIQMQUTUVSFARRV-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolidin-3-ylindazole?
The IUPAC name of 5-bromo-2-pyrrolidin-3-ylindazole (CID 169087490) is 5-bromo-2-pyrrolidin-3-ylindazole.
What is the SMILES notation for 5-bromo-2-pyrrolidin-3-ylindazole?
The canonical SMILES for 5-bromo-2-pyrrolidin-3-ylindazole is Brc1ccc2nn(C3CCNC3)cc2c1.
What is the InChIKey of 5-bromo-2-pyrrolidin-3-ylindazole?
The InChIKey is IQMQUTUVSFARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-9-1-2-11-8(5-9)7-15(14-11)10-3-4-13-6-10/h1-2,5,7,10,13H,3-4,6H2.
What are the key properties of 5-bromo-2-pyrrolidin-3-ylindazole?
5-bromo-2-pyrrolidin-3-ylindazole has a molecular weight of 266.14 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolidin-3-ylindazole is sourced from PubChem (CID 169087490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).