7-fluoro-4-methyl-2H-indazole-3-carboxylic acid

C9H7FN2O2 — CID 130048589

IUPAC7-fluoro-4-methyl-2H-indazole-3-carboxylic acid
SMILESCc1ccc(F)c2n[nH]c(C(=O)O)c12
InChIInChI=1S/C9H7FN2O2/c1-4-2-3-5(10)7-6(4)8(9(13)14)12-11-7/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyOOPZMZNJSLTOQM-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.71
Rot. Bonds1

About 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid

7-fluoro-4-methyl-2H-indazole-3-carboxylic acid (PubChem CID 130048589) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-methyl-2H-indazole-3-carboxylic acid
PubChem CID130048589
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name7-fluoro-4-methyl-2H-indazole-3-carboxylic acid
SMILESCc1ccc(F)c2n[nH]c(C(=O)O)c12
InChIInChI=1S/C9H7FN2O2/c1-4-2-3-5(10)7-6(4)8(9(13)14)12-11-7/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKeyOOPZMZNJSLTOQM-UHFFFAOYSA-N
XLogP1.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid?
The IUPAC name of 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid (CID 130048589) is 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid?
The canonical SMILES for 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid is Cc1ccc(F)c2n[nH]c(C(=O)O)c12.
What is the InChIKey of 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid?
The InChIKey is OOPZMZNJSLTOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-4-2-3-5(10)7-6(4)8(9(13)14)12-11-7/h2-3H,1H3,(H,11,12)(H,13,14).
What are the key properties of 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid?
7-fluoro-4-methyl-2H-indazole-3-carboxylic acid has a molecular weight of 194.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2H-indazole-3-carboxylic acid is sourced from PubChem (CID 130048589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).