2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid

C9H6BrFN2O2 — CID 174585421

IUPAC2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid
SMILESO=C(O)Cc1c(Br)c(F)cc2[nH]ncc12
InChIInChI=1S/C9H6BrFN2O2/c10-9-4(1-8(14)15)5-3-12-13-7(5)2-6(9)11/h2-3H,1H2,(H,12,13)(H,14,15)
InChIKeyWUMYKSZBCYYZRY-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.09
Rot. Bonds2

About 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid

2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid (PubChem CID 174585421) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid
PubChem CID174585421
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid
SMILESO=C(O)Cc1c(Br)c(F)cc2[nH]ncc12
InChIInChI=1S/C9H6BrFN2O2/c10-9-4(1-8(14)15)5-3-12-13-7(5)2-6(9)11/h2-3H,1H2,(H,12,13)(H,14,15)
InChIKeyWUMYKSZBCYYZRY-UHFFFAOYSA-N
XLogP2.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid?
The IUPAC name of 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid (CID 174585421) is 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid is O=C(O)Cc1c(Br)c(F)cc2[nH]ncc12.
What is the InChIKey of 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid?
The InChIKey is WUMYKSZBCYYZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c10-9-4(1-8(14)15)5-3-12-13-7(5)2-6(9)11/h2-3H,1H2,(H,12,13)(H,14,15).
What are the key properties of 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid?
2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid has a molecular weight of 273.06 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoro-1H-indazol-4-yl)acetic acid is sourced from PubChem (CID 174585421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).