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

C11H11BrN2O2 — CID 84730662

IUPAC3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2c(Br)[nH]nc2c1)C(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-6(11(15)16)4-7-2-3-8-9(5-7)13-14-10(8)12/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyJLWRUUQBSMALCX-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.59
Rot. Bonds3

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

3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid (PubChem CID 84730662) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
PubChem CID84730662
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2c(Br)[nH]nc2c1)C(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-6(11(15)16)4-7-2-3-8-9(5-7)13-14-10(8)12/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyJLWRUUQBSMALCX-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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Related Compounds

3-(2,3-dimethylindazol-6-yl)-2-methylpropanoic acid
CID 84726656
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
(2S)-3-(3-bromo-4-chlorophenyl)-2-methylpropanoic acid
CID 146013512
3-(4-bromo-3-chlorophenyl)-2-methylpropanoic acid
CID 83745272
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(2-tert-butyl-1-methylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 117438712
3-(4-ethylisoquinolin-7-yl)-2-methylpropanoic acid
CID 117360196
3-[3,4-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394680
3-(5-bromo-1H-pyrrol-3-yl)-2-methylpropanoic acid
CID 84695258
ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate
CID 117481547
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid (CID 84730662) is 3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid is CC(Cc1ccc2c(Br)[nH]nc2c1)C(=O)O.
What is the InChIKey of 3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid?
The InChIKey is JLWRUUQBSMALCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6(11(15)16)4-7-2-3-8-9(5-7)13-14-10(8)12/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid?
3-(3-bromo-2H-indazol-6-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-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84730662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).