2-(3-bromo-5-formylindazol-1-yl)acetic acid

C10H7BrN2O3 — CID 126623178

IUPAC2-(3-bromo-5-formylindazol-1-yl)acetic acid
SMILESO=Cc1ccc2c(c1)c(Br)nn2CC(=O)O
InChIInChI=1S/C10H7BrN2O3/c11-10-7-3-6(5-14)1-2-8(7)13(12-10)4-9(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyLLSREPRYSQYELK-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.70
Rot. Bonds3

About 2-(3-bromo-5-formylindazol-1-yl)acetic acid

2-(3-bromo-5-formylindazol-1-yl)acetic acid (PubChem CID 126623178) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 2-(3-bromo-5-formylindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-5-formylindazol-1-yl)acetic acid
PubChem CID126623178
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name2-(3-bromo-5-formylindazol-1-yl)acetic acid
SMILESO=Cc1ccc2c(c1)c(Br)nn2CC(=O)O
InChIInChI=1S/C10H7BrN2O3/c11-10-7-3-6(5-14)1-2-8(7)13(12-10)4-9(15)16/h1-3,5H,4H2,(H,15,16)
InChIKeyLLSREPRYSQYELK-UHFFFAOYSA-N
XLogP1.70
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(3-bromo-5-formylindazol-1-yl)acetic 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 2-(3-bromo-5-formylindazol-1-yl)acetic acid?
The IUPAC name of 2-(3-bromo-5-formylindazol-1-yl)acetic acid (CID 126623178) is 2-(3-bromo-5-formylindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-5-formylindazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-5-formylindazol-1-yl)acetic acid is O=Cc1ccc2c(c1)c(Br)nn2CC(=O)O.
What is the InChIKey of 2-(3-bromo-5-formylindazol-1-yl)acetic acid?
The InChIKey is LLSREPRYSQYELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-10-7-3-6(5-14)1-2-8(7)13(12-10)4-9(15)16/h1-3,5H,4H2,(H,15,16).
What are the key properties of 2-(3-bromo-5-formylindazol-1-yl)acetic acid?
2-(3-bromo-5-formylindazol-1-yl)acetic acid has a molecular weight of 283.08 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-formylindazol-1-yl)acetic acid is sourced from PubChem (CID 126623178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).