6-fluoro-2-methylindazole-3-carboxylic acid

C9H7FN2O2 — CID 84720247

IUPAC6-fluoro-2-methylindazole-3-carboxylic acid
SMILESCn1nc2cc(F)ccc2c1C(=O)O
InChIInChI=1S/C9H7FN2O2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11-12/h2-4H,1H3,(H,13,14)
InChIKeyNSHXTLRAUJNJIE-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.41
Rot. Bonds1

About 6-fluoro-2-methylindazole-3-carboxylic acid

6-fluoro-2-methylindazole-3-carboxylic acid (PubChem CID 84720247) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 6-fluoro-2-methylindazole-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-methylindazole-3-carboxylic acid
PubChem CID84720247
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name6-fluoro-2-methylindazole-3-carboxylic acid
SMILESCn1nc2cc(F)ccc2c1C(=O)O
InChIInChI=1S/C9H7FN2O2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11-12/h2-4H,1H3,(H,13,14)
InChIKeyNSHXTLRAUJNJIE-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylindazole-3-carboxylic acid?
The IUPAC name of 6-fluoro-2-methylindazole-3-carboxylic acid (CID 84720247) is 6-fluoro-2-methylindazole-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-methylindazole-3-carboxylic acid?
The canonical SMILES for 6-fluoro-2-methylindazole-3-carboxylic acid is Cn1nc2cc(F)ccc2c1C(=O)O.
What is the InChIKey of 6-fluoro-2-methylindazole-3-carboxylic acid?
The InChIKey is NSHXTLRAUJNJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11-12/h2-4H,1H3,(H,13,14).
What are the key properties of 6-fluoro-2-methylindazole-3-carboxylic acid?
6-fluoro-2-methylindazole-3-carboxylic acid has a molecular weight of 194.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylindazole-3-carboxylic acid is sourced from PubChem (CID 84720247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).