3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole

C14H10FIN2 — CID 69003526

IUPAC3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole
SMILESCc1cc2[nH]nc(-c3ccc(F)cc3)c2cc1I
InChIInChI=1S/C14H10FIN2/c1-8-6-13-11(7-12(8)16)14(18-17-13)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyFYLLGLXBPRYPIZ-UHFFFAOYSA-N
MW352.15 g/mol
LogP4.28
Rot. Bonds1

About 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole

3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole (PubChem CID 69003526) has the molecular formula C14H10FIN2 and a molecular weight of 352.15 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole
PubChem CID69003526
Molecular FormulaC14H10FIN2
Molecular Weight352.15 g/mol
Exact Mass351.99
IUPAC Name3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole
SMILESCc1cc2[nH]nc(-c3ccc(F)cc3)c2cc1I
InChIInChI=1S/C14H10FIN2/c1-8-6-13-11(7-12(8)16)14(18-17-13)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18)
InChIKeyFYLLGLXBPRYPIZ-UHFFFAOYSA-N
XLogP4.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole (CID 69003526) is 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole is Cc1cc2[nH]nc(-c3ccc(F)cc3)c2cc1I.
What is the InChIKey of 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole?
The InChIKey is FYLLGLXBPRYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2/c1-8-6-13-11(7-12(8)16)14(18-17-13)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole?
3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole has a molecular weight of 352.15 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole is sourced from PubChem (CID 69003526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).