5-fluoro-1H-indazole-7-carboxylic acid

C8H5FN2O2 — CID 76846417

IUPAC5-fluoro-1H-indazole-7-carboxylic acid
SMILESO=C(O)c1cc(F)cc2cn[nH]c12
InChIInChI=1S/C8H5FN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyMRPARTBZLWCDIU-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.40
Rot. Bonds1

About 5-fluoro-1H-indazole-7-carboxylic acid

5-fluoro-1H-indazole-7-carboxylic acid (PubChem CID 76846417) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 5-fluoro-1H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1H-indazole-7-carboxylic acid
PubChem CID76846417
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name5-fluoro-1H-indazole-7-carboxylic acid
SMILESO=C(O)c1cc(F)cc2cn[nH]c12
InChIInChI=1S/C8H5FN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyMRPARTBZLWCDIU-UHFFFAOYSA-N
XLogP1.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-indazole-7-carboxylic acid?
The IUPAC name of 5-fluoro-1H-indazole-7-carboxylic acid (CID 76846417) is 5-fluoro-1H-indazole-7-carboxylic acid.
What is the SMILES notation for 5-fluoro-1H-indazole-7-carboxylic acid?
The canonical SMILES for 5-fluoro-1H-indazole-7-carboxylic acid is O=C(O)c1cc(F)cc2cn[nH]c12.
What is the InChIKey of 5-fluoro-1H-indazole-7-carboxylic acid?
The InChIKey is MRPARTBZLWCDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 5-fluoro-1H-indazole-7-carboxylic acid?
5-fluoro-1H-indazole-7-carboxylic acid has a molecular weight of 180.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-indazole-7-carboxylic acid is sourced from PubChem (CID 76846417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).