3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid

C15H10FIN2O2 — CID 22927184

IUPAC3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid
SMILESO=C(O)n1nc(-c2cccc(F)c2)c2cc(CI)ccc21
InChIInChI=1S/C15H10FIN2O2/c16-11-3-1-2-10(7-11)14-12-6-9(8-17)4-5-13(12)19(18-14)15(20)21/h1-7H,8H2,(H,20,21)
InChIKeyWNEZVLALFOODQY-UHFFFAOYSA-N
MW396.16 g/mol
LogP4.30
Rot. Bonds2

About 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid

3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid (PubChem CID 22927184) has the molecular formula C15H10FIN2O2 and a molecular weight of 396.16 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid
PubChem CID22927184
Molecular FormulaC15H10FIN2O2
Molecular Weight396.16 g/mol
Exact Mass395.98
IUPAC Name3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid
SMILESO=C(O)n1nc(-c2cccc(F)c2)c2cc(CI)ccc21
InChIInChI=1S/C15H10FIN2O2/c16-11-3-1-2-10(7-11)14-12-6-9(8-17)4-5-13(12)19(18-14)15(20)21/h1-7H,8H2,(H,20,21)
InChIKeyWNEZVLALFOODQY-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid (CID 22927184) is 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid is O=C(O)n1nc(-c2cccc(F)c2)c2cc(CI)ccc21.
What is the InChIKey of 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid?
The InChIKey is WNEZVLALFOODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN2O2/c16-11-3-1-2-10(7-11)14-12-6-9(8-17)4-5-13(12)19(18-14)15(20)21/h1-7H,8H2,(H,20,21).
What are the key properties of 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid?
3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid has a molecular weight of 396.16 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(iodomethyl)indazole-1-carboxylic acid is sourced from PubChem (CID 22927184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).