6-bromoindolizine-2-carboxylic acid

C9H6BrNO2 — CID 82388171

IUPAC6-bromoindolizine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(Br)cn2c1
InChIInChI=1S/C9H6BrNO2/c10-7-1-2-8-3-6(9(12)13)4-11(8)5-7/h1-5H,(H,12,13)
InChIKeyNJTWQSPKHQNJPH-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.40
Rot. Bonds1

About 6-bromoindolizine-2-carboxylic acid

6-bromoindolizine-2-carboxylic acid (PubChem CID 82388171) has the molecular formula C9H6BrNO2 and a molecular weight of 240.06 g/mol. Its IUPAC name is 6-bromoindolizine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromoindolizine-2-carboxylic acid
PubChem CID82388171
Molecular FormulaC9H6BrNO2
Molecular Weight240.06 g/mol
Exact Mass238.96
IUPAC Name6-bromoindolizine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(Br)cn2c1
InChIInChI=1S/C9H6BrNO2/c10-7-1-2-8-3-6(9(12)13)4-11(8)5-7/h1-5H,(H,12,13)
InChIKeyNJTWQSPKHQNJPH-UHFFFAOYSA-N
XLogP2.40
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromoindolizine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromoindolizine-2-carboxylic acid?
The IUPAC name of 6-bromoindolizine-2-carboxylic acid (CID 82388171) is 6-bromoindolizine-2-carboxylic acid.
What is the SMILES notation for 6-bromoindolizine-2-carboxylic acid?
The canonical SMILES for 6-bromoindolizine-2-carboxylic acid is O=C(O)c1cc2ccc(Br)cn2c1.
What is the InChIKey of 6-bromoindolizine-2-carboxylic acid?
The InChIKey is NJTWQSPKHQNJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO2/c10-7-1-2-8-3-6(9(12)13)4-11(8)5-7/h1-5H,(H,12,13).
What are the key properties of 6-bromoindolizine-2-carboxylic acid?
6-bromoindolizine-2-carboxylic acid has a molecular weight of 240.06 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoindolizine-2-carboxylic acid is sourced from PubChem (CID 82388171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).