2-(3-bromo-2-methylindazol-4-yl)acetic acid

C10H9BrN2O2 — CID 84729978

IUPAC2-(3-bromo-2-methylindazol-4-yl)acetic acid
SMILESCn1nc2cccc(CC(=O)O)c2c1Br
InChIInChI=1S/C10H9BrN2O2/c1-13-10(11)9-6(5-8(14)15)3-2-4-7(9)12-13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyYUFLIAIJEBOSAR-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.96
Rot. Bonds2

About 2-(3-bromo-2-methylindazol-4-yl)acetic acid

2-(3-bromo-2-methylindazol-4-yl)acetic acid (PubChem CID 84729978) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-2-methylindazol-4-yl)acetic acid
PubChem CID84729978
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(3-bromo-2-methylindazol-4-yl)acetic acid
SMILESCn1nc2cccc(CC(=O)O)c2c1Br
InChIInChI=1S/C10H9BrN2O2/c1-13-10(11)9-6(5-8(14)15)3-2-4-7(9)12-13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyYUFLIAIJEBOSAR-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-methylindazol-4-amine
CID 84725761
1-(3-bromo-1-methylindazol-4-yl)propan-2-one
CID 83902578
2-(3-ethyl-2H-indazol-4-yl)acetic acid
CID 84672219
2-(1-methylbenzotriazol-4-yl)acetic acid
CID 83877625
2-phenanthridin-1-ylacetic acid
CID 141175956
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
2-(1,7-dimethylindazol-3-yl)acetic acid
CID 83908649
2-(4-fluoro-3-methylindazol-2-yl)acetic acid
CID 84722585
3-(3-ethyl-2-methylindazol-7-yl)propanoic acid
CID 105491048
2-(3-methylbenzotriazol-4-yl)acetamide
CID 171505009
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
2-(3-bromo-2-sulfanylphenyl)acetic acid
CID 91874099

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindazol-4-yl)acetic acid?
The IUPAC name of 2-(3-bromo-2-methylindazol-4-yl)acetic acid (CID 84729978) is 2-(3-bromo-2-methylindazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-2-methylindazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-2-methylindazol-4-yl)acetic acid is Cn1nc2cccc(CC(=O)O)c2c1Br.
What is the InChIKey of 2-(3-bromo-2-methylindazol-4-yl)acetic acid?
The InChIKey is YUFLIAIJEBOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-10(11)9-6(5-8(14)15)3-2-4-7(9)12-13/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(3-bromo-2-methylindazol-4-yl)acetic acid?
2-(3-bromo-2-methylindazol-4-yl)acetic acid has a molecular weight of 269.10 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindazol-4-yl)acetic acid is sourced from PubChem (CID 84729978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).