3-(5-bromo-2-methylindazol-3-yl)propanoic acid

C11H11BrN2O2 — CID 84730630

IUPAC3-(5-bromo-2-methylindazol-3-yl)propanoic acid
SMILESCn1nc2ccc(Br)cc2c1CCC(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-14-10(4-5-11(15)16)8-6-7(12)2-3-9(8)13-14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyGXWIRTFOIKTGKX-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.35
Rot. Bonds3

About 3-(5-bromo-2-methylindazol-3-yl)propanoic acid

3-(5-bromo-2-methylindazol-3-yl)propanoic acid (PubChem CID 84730630) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(5-bromo-2-methylindazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-2-methylindazol-3-yl)propanoic acid
PubChem CID84730630
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(5-bromo-2-methylindazol-3-yl)propanoic acid
SMILESCn1nc2ccc(Br)cc2c1CCC(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-14-10(4-5-11(15)16)8-6-7(12)2-3-9(8)13-14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyGXWIRTFOIKTGKX-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-bromophenyl)-1,4-dimethylpyrazol-5-yl]propanoic acid
CID 84605500
4-(5-bromobenzotriazol-2-yl)butanoic acid
CID 83968975
5-bromo-2-methylindazole-3-sulfonyl fluoride
CID 166432675
5-bromo-2-ethylindazole-3-carboxylic acid
CID 84729960
3-(5-bromoindazol-2-yl)propanoic acid
CID 84729968
3-(5-bromo-1-methylpyrazol-3-yl)propanoic acid
CID 84726762
3-[10-bromo-3-(4-methoxyphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]propanoic acid
CID 56807077
3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid
CID 154941998
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
3-(7-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82529860
3-(4-bromo-2-methylphenyl)propanoic acid
CID 69202839
5-bromo-2-propan-2-ylindazole-3-carboxylic acid
CID 84730622

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylindazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-bromo-2-methylindazol-3-yl)propanoic acid (CID 84730630) is 3-(5-bromo-2-methylindazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-2-methylindazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-bromo-2-methylindazol-3-yl)propanoic acid is Cn1nc2ccc(Br)cc2c1CCC(=O)O.
What is the InChIKey of 3-(5-bromo-2-methylindazol-3-yl)propanoic acid?
The InChIKey is GXWIRTFOIKTGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-14-10(4-5-11(15)16)8-6-7(12)2-3-9(8)13-14/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-(5-bromo-2-methylindazol-3-yl)propanoic acid?
3-(5-bromo-2-methylindazol-3-yl)propanoic acid has a molecular weight of 283.12 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylindazol-3-yl)propanoic acid is sourced from PubChem (CID 84730630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).