3-(6-fluoro-2H-indazol-3-yl)propanoic acid

C10H9FN2O2 — CID 83909180

IUPAC3-(6-fluoro-2H-indazol-3-yl)propanoic acid
SMILESO=C(O)CCc1[nH]nc2cc(F)ccc12
InChIInChI=1S/C10H9FN2O2/c11-6-1-2-7-8(3-4-10(14)15)12-13-9(7)5-6/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChIKeyHELAOGLYNQFWDJ-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.72
Rot. Bonds3

About 3-(6-fluoro-2H-indazol-3-yl)propanoic acid

3-(6-fluoro-2H-indazol-3-yl)propanoic acid (PubChem CID 83909180) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-(6-fluoro-2H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-fluoro-2H-indazol-3-yl)propanoic acid
PubChem CID83909180
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name3-(6-fluoro-2H-indazol-3-yl)propanoic acid
SMILESO=C(O)CCc1[nH]nc2cc(F)ccc12
InChIInChI=1S/C10H9FN2O2/c11-6-1-2-7-8(3-4-10(14)15)12-13-9(7)5-6/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChIKeyHELAOGLYNQFWDJ-UHFFFAOYSA-N
XLogP1.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2H-indazol-3-yl)propanoic acid?
The IUPAC name of 3-(6-fluoro-2H-indazol-3-yl)propanoic acid (CID 83909180) is 3-(6-fluoro-2H-indazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-fluoro-2H-indazol-3-yl)propanoic acid?
The canonical SMILES for 3-(6-fluoro-2H-indazol-3-yl)propanoic acid is O=C(O)CCc1[nH]nc2cc(F)ccc12.
What is the InChIKey of 3-(6-fluoro-2H-indazol-3-yl)propanoic acid?
The InChIKey is HELAOGLYNQFWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-6-1-2-7-8(3-4-10(14)15)12-13-9(7)5-6/h1-2,5H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 3-(6-fluoro-2H-indazol-3-yl)propanoic acid?
3-(6-fluoro-2H-indazol-3-yl)propanoic acid has a molecular weight of 208.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 83909180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).