4-fluoro-1-methoxyindazole-3-carboxylic acid

C9H7FN2O3 — CID 67229837

IUPAC4-fluoro-1-methoxyindazole-3-carboxylic acid
SMILESCOn1nc(C(=O)O)c2c(F)cccc21
InChIInChI=1S/C9H7FN2O3/c1-15-12-6-4-2-3-5(10)7(6)8(11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyBTJSUSLBDACHEC-UHFFFAOYSA-N
MW210.16 g/mol
LogP0.93
Rot. Bonds2

About 4-fluoro-1-methoxyindazole-3-carboxylic acid

4-fluoro-1-methoxyindazole-3-carboxylic acid (PubChem CID 67229837) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 4-fluoro-1-methoxyindazole-3-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1-methoxyindazole-3-carboxylic acid
PubChem CID67229837
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name4-fluoro-1-methoxyindazole-3-carboxylic acid
SMILESCOn1nc(C(=O)O)c2c(F)cccc21
InChIInChI=1S/C9H7FN2O3/c1-15-12-6-4-2-3-5(10)7(6)8(11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyBTJSUSLBDACHEC-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxyindazole-3-carboxylic acid?
The IUPAC name of 4-fluoro-1-methoxyindazole-3-carboxylic acid (CID 67229837) is 4-fluoro-1-methoxyindazole-3-carboxylic acid.
What is the SMILES notation for 4-fluoro-1-methoxyindazole-3-carboxylic acid?
The canonical SMILES for 4-fluoro-1-methoxyindazole-3-carboxylic acid is COn1nc(C(=O)O)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-methoxyindazole-3-carboxylic acid?
The InChIKey is BTJSUSLBDACHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c1-15-12-6-4-2-3-5(10)7(6)8(11-12)9(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 4-fluoro-1-methoxyindazole-3-carboxylic acid?
4-fluoro-1-methoxyindazole-3-carboxylic acid has a molecular weight of 210.16 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methoxyindazole-3-carboxylic acid is sourced from PubChem (CID 67229837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).