2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid

C9H7BrN2O3 — CID 84712811

IUPAC2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid
SMILESO=C(O)COc1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C9H7BrN2O3/c10-5-1-2-6-7(3-5)11-12-9(6)15-4-8(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyAYTMRSOMVBQSEV-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.79
Rot. Bonds3

About 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid

2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid (PubChem CID 84712811) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid
PubChem CID84712811
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid
SMILESO=C(O)COc1n[nH]c2cc(Br)ccc12
InChIInChI=1S/C9H7BrN2O3/c10-5-1-2-6-7(3-5)11-12-9(6)15-4-8(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyAYTMRSOMVBQSEV-UHFFFAOYSA-N
XLogP1.79
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-4-oxo-1H-cinnolin-3-yl)acetic acid
CID 163323332
6-bromo-1H-indazole-3-carbohydrazide
CID 130118976
6-bromo-1H-indazole-3-carboxylic acid;methyl 6-bromo-1H-indazole-3-carboxylate;molecular hydrogen
CID 159296138
2-(5-bromo-2-ethylphenoxy)acetic acid
CID 151411352
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
2-(6-bromoquinolin-3-yl)oxyacetic acid
CID 171649153
tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate
CID 91066797
2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid
CID 57161620
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
2-(4-bromo-2-ethynylphenoxy)acetic acid
CID 138686811
2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid
CID 91896517
5-bromo-1H-indazole-3-carboxylate
CID 7157357

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid?
The IUPAC name of 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid (CID 84712811) is 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid?
The canonical SMILES for 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid is O=C(O)COc1n[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid?
The InChIKey is AYTMRSOMVBQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-5-1-2-6-7(3-5)11-12-9(6)15-4-8(13)14/h1-3H,4H2,(H,11,12)(H,13,14).
What are the key properties of 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid?
2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid has a molecular weight of 271.07 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1H-indazol-3-yl)oxy]acetic acid is sourced from PubChem (CID 84712811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).