3-(4-fluoro-2H-indazol-3-yl)butanoic acid

C11H11FN2O2 — CID 83910713

IUPAC3-(4-fluoro-2H-indazol-3-yl)butanoic acid
SMILESCC(CC(=O)O)c1[nH]nc2cccc(F)c12
InChIInChI=1S/C11H11FN2O2/c1-6(5-9(15)16)11-10-7(12)3-2-4-8(10)13-14-11/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyCUEWCQGHTWNGSK-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.28
Rot. Bonds3

About 3-(4-fluoro-2H-indazol-3-yl)butanoic acid

3-(4-fluoro-2H-indazol-3-yl)butanoic acid (PubChem CID 83910713) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(4-fluoro-2H-indazol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-fluoro-2H-indazol-3-yl)butanoic acid
PubChem CID83910713
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(4-fluoro-2H-indazol-3-yl)butanoic acid
SMILESCC(CC(=O)O)c1[nH]nc2cccc(F)c12
InChIInChI=1S/C11H11FN2O2/c1-6(5-9(15)16)11-10-7(12)3-2-4-8(10)13-14-11/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyCUEWCQGHTWNGSK-UHFFFAOYSA-N
XLogP2.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2H-indazol-3-yl)butanoic acid?
The IUPAC name of 3-(4-fluoro-2H-indazol-3-yl)butanoic acid (CID 83910713) is 3-(4-fluoro-2H-indazol-3-yl)butanoic acid.
What is the SMILES notation for 3-(4-fluoro-2H-indazol-3-yl)butanoic acid?
The canonical SMILES for 3-(4-fluoro-2H-indazol-3-yl)butanoic acid is CC(CC(=O)O)c1[nH]nc2cccc(F)c12.
What is the InChIKey of 3-(4-fluoro-2H-indazol-3-yl)butanoic acid?
The InChIKey is CUEWCQGHTWNGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-6(5-9(15)16)11-10-7(12)3-2-4-8(10)13-14-11/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(4-fluoro-2H-indazol-3-yl)butanoic acid?
3-(4-fluoro-2H-indazol-3-yl)butanoic acid has a molecular weight of 222.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2H-indazol-3-yl)butanoic acid is sourced from PubChem (CID 83910713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).