1-(4-fluorophenyl)indazole-4-carboxylic acid

C14H9FN2O2 — CID 58138774

IUPAC1-(4-fluorophenyl)indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2/c15-9-4-6-10(7-5-9)17-13-3-1-2-11(14(18)19)12(13)8-16-17/h1-8H,(H,18,19)
InChIKeyLCKPEWBCLFRPIA-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.86
Rot. Bonds2

About 1-(4-fluorophenyl)indazole-4-carboxylic acid

1-(4-fluorophenyl)indazole-4-carboxylic acid (PubChem CID 58138774) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)indazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)indazole-4-carboxylic acid
PubChem CID58138774
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name1-(4-fluorophenyl)indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2/c15-9-4-6-10(7-5-9)17-13-3-1-2-11(14(18)19)12(13)8-16-17/h1-8H,(H,18,19)
InChIKeyLCKPEWBCLFRPIA-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)indazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)indazole-4-carboxylic acid (CID 58138774) is 1-(4-fluorophenyl)indazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)indazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)indazole-4-carboxylic acid is O=C(O)c1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)indazole-4-carboxylic acid?
The InChIKey is LCKPEWBCLFRPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-9-4-6-10(7-5-9)17-13-3-1-2-11(14(18)19)12(13)8-16-17/h1-8H,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)indazole-4-carboxylic acid?
1-(4-fluorophenyl)indazole-4-carboxylic acid has a molecular weight of 256.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)indazole-4-carboxylic acid is sourced from PubChem (CID 58138774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).