3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid

C11H11BrN2O2 — CID 84730633

IUPAC3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid
SMILESCC(Cc1[nH]nc2c(Br)cccc12)C(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-6(11(15)16)5-9-7-3-2-4-8(12)10(7)14-13-9/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyKLBHTZBCSIKGBT-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.59
Rot. Bonds3

About 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid

3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid (PubChem CID 84730633) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid
PubChem CID84730633
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid
SMILESCC(Cc1[nH]nc2c(Br)cccc12)C(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-6(11(15)16)5-9-7-3-2-4-8(12)10(7)14-13-9/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyKLBHTZBCSIKGBT-UHFFFAOYSA-N
XLogP2.59
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid (CID 84730633) is 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid is CC(Cc1[nH]nc2c(Br)cccc12)C(=O)O.
What is the InChIKey of 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid?
The InChIKey is KLBHTZBCSIKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6(11(15)16)5-9-7-3-2-4-8(12)10(7)14-13-9/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid?
3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid has a molecular weight of 283.12 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-2H-indazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84730633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).