7-fluoro-3-methoxyindazole-1-carboxylic acid

C9H7FN2O3 — CID 150593885

IUPAC7-fluoro-3-methoxyindazole-1-carboxylic acid
SMILESCOc1nn(C(=O)O)c2c(F)cccc12
InChIInChI=1S/C9H7FN2O3/c1-15-8-5-3-2-4-6(10)7(5)12(11-8)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyIQLIDMDTOFKYRP-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.71
Rot. Bonds1

About 7-fluoro-3-methoxyindazole-1-carboxylic acid

7-fluoro-3-methoxyindazole-1-carboxylic acid (PubChem CID 150593885) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 7-fluoro-3-methoxyindazole-1-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-methoxyindazole-1-carboxylic acid
PubChem CID150593885
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name7-fluoro-3-methoxyindazole-1-carboxylic acid
SMILESCOc1nn(C(=O)O)c2c(F)cccc12
InChIInChI=1S/C9H7FN2O3/c1-15-8-5-3-2-4-6(10)7(5)12(11-8)9(13)14/h2-4H,1H3,(H,13,14)
InChIKeyIQLIDMDTOFKYRP-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methoxyindazole-1-carboxylic acid?
The IUPAC name of 7-fluoro-3-methoxyindazole-1-carboxylic acid (CID 150593885) is 7-fluoro-3-methoxyindazole-1-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-methoxyindazole-1-carboxylic acid?
The canonical SMILES for 7-fluoro-3-methoxyindazole-1-carboxylic acid is COc1nn(C(=O)O)c2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methoxyindazole-1-carboxylic acid?
The InChIKey is IQLIDMDTOFKYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c1-15-8-5-3-2-4-6(10)7(5)12(11-8)9(13)14/h2-4H,1H3,(H,13,14).
What are the key properties of 7-fluoro-3-methoxyindazole-1-carboxylic acid?
7-fluoro-3-methoxyindazole-1-carboxylic acid has a molecular weight of 210.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methoxyindazole-1-carboxylic acid is sourced from PubChem (CID 150593885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).