5-bromo-2-propan-2-ylindazole-3-carboxylic acid

C11H11BrN2O2 — CID 84730622

IUPAC5-bromo-2-propan-2-ylindazole-3-carboxylic acid
SMILESCC(C)n1nc2ccc(Br)cc2c1C(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-6(2)14-10(11(15)16)8-5-7(12)3-4-9(8)13-14/h3-6H,1-2H3,(H,15,16)
InChIKeyPIASXPWSQNEPNK-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.08
Rot. Bonds2

About 5-bromo-2-propan-2-ylindazole-3-carboxylic acid

5-bromo-2-propan-2-ylindazole-3-carboxylic acid (PubChem CID 84730622) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-bromo-2-propan-2-ylindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-propan-2-ylindazole-3-carboxylic acid
PubChem CID84730622
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-bromo-2-propan-2-ylindazole-3-carboxylic acid
SMILESCC(C)n1nc2ccc(Br)cc2c1C(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-6(2)14-10(11(15)16)8-5-7(12)3-4-9(8)13-14/h3-6H,1-2H3,(H,15,16)
InChIKeyPIASXPWSQNEPNK-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-ylindazole-3-carboxylic acid?
The IUPAC name of 5-bromo-2-propan-2-ylindazole-3-carboxylic acid (CID 84730622) is 5-bromo-2-propan-2-ylindazole-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-propan-2-ylindazole-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-propan-2-ylindazole-3-carboxylic acid is CC(C)n1nc2ccc(Br)cc2c1C(=O)O.
What is the InChIKey of 5-bromo-2-propan-2-ylindazole-3-carboxylic acid?
The InChIKey is PIASXPWSQNEPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6(2)14-10(11(15)16)8-5-7(12)3-4-9(8)13-14/h3-6H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-2-propan-2-ylindazole-3-carboxylic acid?
5-bromo-2-propan-2-ylindazole-3-carboxylic acid has a molecular weight of 283.12 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-ylindazole-3-carboxylic acid is sourced from PubChem (CID 84730622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).