2-(7-fluoro-2-methylindazol-3-yl)acetic acid

C10H9FN2O2 — CID 84722582

IUPAC2-(7-fluoro-2-methylindazol-3-yl)acetic acid
SMILESCn1nc2c(F)cccc2c1CC(=O)O
InChIInChI=1S/C10H9FN2O2/c1-13-8(5-9(14)15)6-3-2-4-7(11)10(6)12-13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyYNULEMOBFVMDGK-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.34
Rot. Bonds2

About 2-(7-fluoro-2-methylindazol-3-yl)acetic acid

2-(7-fluoro-2-methylindazol-3-yl)acetic acid (PubChem CID 84722582) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(7-fluoro-2-methylindazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-2-methylindazol-3-yl)acetic acid
PubChem CID84722582
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(7-fluoro-2-methylindazol-3-yl)acetic acid
SMILESCn1nc2c(F)cccc2c1CC(=O)O
InChIInChI=1S/C10H9FN2O2/c1-13-8(5-9(14)15)6-3-2-4-7(11)10(6)12-13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyYNULEMOBFVMDGK-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methylindazol-3-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-2-methylindazol-3-yl)acetic acid (CID 84722582) is 2-(7-fluoro-2-methylindazol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-2-methylindazol-3-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-2-methylindazol-3-yl)acetic acid is Cn1nc2c(F)cccc2c1CC(=O)O.
What is the InChIKey of 2-(7-fluoro-2-methylindazol-3-yl)acetic acid?
The InChIKey is YNULEMOBFVMDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-13-8(5-9(14)15)6-3-2-4-7(11)10(6)12-13/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(7-fluoro-2-methylindazol-3-yl)acetic acid?
2-(7-fluoro-2-methylindazol-3-yl)acetic acid has a molecular weight of 208.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methylindazol-3-yl)acetic acid is sourced from PubChem (CID 84722582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).