2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid

C11H11BrN2O2 — CID 84730664

IUPAC2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc2c(Br)[nH]nc2c1
InChIInChI=1S/C11H11BrN2O2/c1-11(2,10(15)16)6-3-4-7-8(5-6)13-14-9(7)12/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGQPQETBSXGWAJG-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.69
Rot. Bonds2

About 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid

2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid (PubChem CID 84730664) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
PubChem CID84730664
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc2c(Br)[nH]nc2c1
InChIInChI=1S/C11H11BrN2O2/c1-11(2,10(15)16)6-3-4-7-8(5-6)13-14-9(7)12/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGQPQETBSXGWAJG-UHFFFAOYSA-N
XLogP2.69
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid (CID 84730664) is 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc2c(Br)[nH]nc2c1.
What is the InChIKey of 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid?
The InChIKey is GQPQETBSXGWAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-11(2,10(15)16)6-3-4-7-8(5-6)13-14-9(7)12/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid?
2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid has a molecular weight of 283.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84730664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).