2-(4-bromo-2H-indazol-3-yl)ethanamine

C9H10BrN3 — CID 76846274

IUPAC2-(4-bromo-2H-indazol-3-yl)ethanamine
SMILESNCCc1[nH]nc2cccc(Br)c12
InChIInChI=1S/C9H10BrN3/c10-6-2-1-3-7-9(6)8(4-5-11)13-12-7/h1-3H,4-5,11H2,(H,12,13)
InChIKeyJEAHTULHJNDANJ-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.83
Rot. Bonds2

About 2-(4-bromo-2H-indazol-3-yl)ethanamine

2-(4-bromo-2H-indazol-3-yl)ethanamine (PubChem CID 76846274) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(4-bromo-2H-indazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2H-indazol-3-yl)ethanamine
PubChem CID76846274
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name2-(4-bromo-2H-indazol-3-yl)ethanamine
SMILESNCCc1[nH]nc2cccc(Br)c12
InChIInChI=1S/C9H10BrN3/c10-6-2-1-3-7-9(6)8(4-5-11)13-12-7/h1-3H,4-5,11H2,(H,12,13)
InChIKeyJEAHTULHJNDANJ-UHFFFAOYSA-N
XLogP1.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2H-indazol-3-yl)ethanamine 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 2-(4-bromo-2H-indazol-3-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2H-indazol-3-yl)ethanamine (CID 76846274) is 2-(4-bromo-2H-indazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2H-indazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2H-indazol-3-yl)ethanamine is NCCc1[nH]nc2cccc(Br)c12.
What is the InChIKey of 2-(4-bromo-2H-indazol-3-yl)ethanamine?
The InChIKey is JEAHTULHJNDANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c10-6-2-1-3-7-9(6)8(4-5-11)13-12-7/h1-3H,4-5,11H2,(H,12,13).
What are the key properties of 2-(4-bromo-2H-indazol-3-yl)ethanamine?
2-(4-bromo-2H-indazol-3-yl)ethanamine has a molecular weight of 240.10 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2H-indazol-3-yl)ethanamine is sourced from PubChem (CID 76846274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).