2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid

C9H7BrN2O3 — CID 84730075

IUPAC2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid
SMILESO=C(O)Cn1nc2c(O)cccc2c1Br
InChIInChI=1S/C9H7BrN2O3/c10-9-5-2-1-3-6(13)8(5)11-12(9)4-7(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyLURXQIMYIRCQFG-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.59
Rot. Bonds2

About 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid

2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid (PubChem CID 84730075) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid
PubChem CID84730075
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid
SMILESO=C(O)Cn1nc2c(O)cccc2c1Br
InChIInChI=1S/C9H7BrN2O3/c10-9-5-2-1-3-6(13)8(5)11-12(9)4-7(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyLURXQIMYIRCQFG-UHFFFAOYSA-N
XLogP1.59
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-bromo-3-methylindazol-2-yl)acetic acid
CID 84729976
2-(7-bromo-3-methylindazol-1-yl)acetic acid
CID 84712293
3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264860
2-(4-fluoro-3-methylindazol-2-yl)acetic acid
CID 84722585
2-(3-ethylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
CID 143383912
2-(2-methylsulfanyl-4-oxoquinazolin-3-yl)acetic acid
CID 94075132
2-(3-bromo-7-methylindazol-2-yl)ethanamine
CID 84729162
9-aminoacridin-4-ol;(Z)-but-2-enedioic acid
CID 45105090
8-hydroxy-3-(methylaminomethyl)quinazolin-4-one
CID 117264733
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
2-(3-bromo-2-methylindazol-4-yl)acetic acid
CID 84729978
4-(2-phenylethyl)quinolin-8-ol
CID 15631338

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid?
The IUPAC name of 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid (CID 84730075) is 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid is O=C(O)Cn1nc2c(O)cccc2c1Br.
What is the InChIKey of 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid?
The InChIKey is LURXQIMYIRCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-9-5-2-1-3-6(13)8(5)11-12(9)4-7(14)15/h1-3,13H,4H2,(H,14,15).
What are the key properties of 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid?
2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid has a molecular weight of 271.07 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-7-hydroxyindazol-2-yl)acetic acid is sourced from PubChem (CID 84730075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).