5-bromo-2-ethylindazole-3-carboxylic acid

C10H9BrN2O2 — CID 84729960

IUPAC5-bromo-2-ethylindazole-3-carboxylic acid
SMILESCCn1nc2ccc(Br)cc2c1C(=O)O
InChIInChI=1S/C10H9BrN2O2/c1-2-13-9(10(14)15)7-5-6(11)3-4-8(7)12-13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyPLZQIDSULZMSLM-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.52
Rot. Bonds2

About 5-bromo-2-ethylindazole-3-carboxylic acid

5-bromo-2-ethylindazole-3-carboxylic acid (PubChem CID 84729960) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-bromo-2-ethylindazole-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-ethylindazole-3-carboxylic acid
PubChem CID84729960
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name5-bromo-2-ethylindazole-3-carboxylic acid
SMILESCCn1nc2ccc(Br)cc2c1C(=O)O
InChIInChI=1S/C10H9BrN2O2/c1-2-13-9(10(14)15)7-5-6(11)3-4-8(7)12-13/h3-5H,2H2,1H3,(H,14,15)
InChIKeyPLZQIDSULZMSLM-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylindazole-3-carboxylic acid?
The IUPAC name of 5-bromo-2-ethylindazole-3-carboxylic acid (CID 84729960) is 5-bromo-2-ethylindazole-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-ethylindazole-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-ethylindazole-3-carboxylic acid is CCn1nc2ccc(Br)cc2c1C(=O)O.
What is the InChIKey of 5-bromo-2-ethylindazole-3-carboxylic acid?
The InChIKey is PLZQIDSULZMSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-13-9(10(14)15)7-5-6(11)3-4-8(7)12-13/h3-5H,2H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-ethylindazole-3-carboxylic acid?
5-bromo-2-ethylindazole-3-carboxylic acid has a molecular weight of 269.10 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylindazole-3-carboxylic acid is sourced from PubChem (CID 84729960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).