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

C9H7FN2O2 — CID 174594432

IUPAC2-(5-fluoro-1H-indazol-4-yl)acetic acid
SMILESO=C(O)Cc1c(F)ccc2[nH]ncc12
InChIInChI=1S/C9H7FN2O2/c10-7-1-2-8-6(4-11-12-8)5(7)3-9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKeyLVFVFRNIVHUFDW-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.33
Rot. Bonds2

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

2-(5-fluoro-1H-indazol-4-yl)acetic acid (PubChem CID 174594432) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1H-indazol-4-yl)acetic acid
PubChem CID174594432
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name2-(5-fluoro-1H-indazol-4-yl)acetic acid
SMILESO=C(O)Cc1c(F)ccc2[nH]ncc12
InChIInChI=1S/C9H7FN2O2/c10-7-1-2-8-6(4-11-12-8)5(7)3-9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)
InChIKeyLVFVFRNIVHUFDW-UHFFFAOYSA-N
XLogP1.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indazol-4-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1H-indazol-4-yl)acetic acid (CID 174594432) is 2-(5-fluoro-1H-indazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1H-indazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1H-indazol-4-yl)acetic acid is O=C(O)Cc1c(F)ccc2[nH]ncc12.
What is the InChIKey of 2-(5-fluoro-1H-indazol-4-yl)acetic acid?
The InChIKey is LVFVFRNIVHUFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7-1-2-8-6(4-11-12-8)5(7)3-9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14).
What are the key properties of 2-(5-fluoro-1H-indazol-4-yl)acetic acid?
2-(5-fluoro-1H-indazol-4-yl)acetic acid has a molecular weight of 194.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indazol-4-yl)acetic acid is sourced from PubChem (CID 174594432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).