6-(4-iodophenyl)-1H-indazole-3-carboxylic acid

C14H9IN2O2 — CID 70882113

IUPAC6-(4-iodophenyl)-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(-c3ccc(I)cc3)ccc12
InChIInChI=1S/C14H9IN2O2/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)16-17-13(11)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyIIHUQLTXBUZEPZ-UHFFFAOYSA-N
MW364.14 g/mol
LogP3.53
Rot. Bonds2

About 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid

6-(4-iodophenyl)-1H-indazole-3-carboxylic acid (PubChem CID 70882113) has the molecular formula C14H9IN2O2 and a molecular weight of 364.14 g/mol. Its IUPAC name is 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-iodophenyl)-1H-indazole-3-carboxylic acid
PubChem CID70882113
Molecular FormulaC14H9IN2O2
Molecular Weight364.14 g/mol
Exact Mass363.97
IUPAC Name6-(4-iodophenyl)-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(-c3ccc(I)cc3)ccc12
InChIInChI=1S/C14H9IN2O2/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)16-17-13(11)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyIIHUQLTXBUZEPZ-UHFFFAOYSA-N
XLogP3.53
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid (CID 70882113) is 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2cc(-c3ccc(I)cc3)ccc12.
What is the InChIKey of 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid?
The InChIKey is IIHUQLTXBUZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O2/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)16-17-13(11)14(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid?
6-(4-iodophenyl)-1H-indazole-3-carboxylic acid has a molecular weight of 364.14 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 70882113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).