2-(4-fluoro-3-methylindazol-2-yl)acetic acid

C10H9FN2O2 — CID 84722585

IUPAC2-(4-fluoro-3-methylindazol-2-yl)acetic acid
SMILESCc1c2c(F)cccc2nn1CC(=O)O
InChIInChI=1S/C10H9FN2O2/c1-6-10-7(11)3-2-4-8(10)12-13(6)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyJPXOYIRHKWWXJE-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.57
Rot. Bonds2

About 2-(4-fluoro-3-methylindazol-2-yl)acetic acid

2-(4-fluoro-3-methylindazol-2-yl)acetic acid (PubChem CID 84722585) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylindazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methylindazol-2-yl)acetic acid
PubChem CID84722585
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(4-fluoro-3-methylindazol-2-yl)acetic acid
SMILESCc1c2c(F)cccc2nn1CC(=O)O
InChIInChI=1S/C10H9FN2O2/c1-6-10-7(11)3-2-4-8(10)12-13(6)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyJPXOYIRHKWWXJE-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylindazol-2-yl)acetic acid?
The IUPAC name of 2-(4-fluoro-3-methylindazol-2-yl)acetic acid (CID 84722585) is 2-(4-fluoro-3-methylindazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-methylindazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-fluoro-3-methylindazol-2-yl)acetic acid is Cc1c2c(F)cccc2nn1CC(=O)O.
What is the InChIKey of 2-(4-fluoro-3-methylindazol-2-yl)acetic acid?
The InChIKey is JPXOYIRHKWWXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6-10-7(11)3-2-4-8(10)12-13(6)5-9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(4-fluoro-3-methylindazol-2-yl)acetic acid?
2-(4-fluoro-3-methylindazol-2-yl)acetic acid has a molecular weight of 208.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylindazol-2-yl)acetic acid is sourced from PubChem (CID 84722585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).