4-iodo-1H-indazole

C7H5IN2 — CID 24728219

IUPAC4-iodo-1H-indazole
SMILESIc1cccc2[nH]ncc12
InChIInChI=1S/C7H5IN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKeyCJQXSPSUIGJNJX-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.17
Rot. Bonds

About 4-iodo-1H-indazole

4-iodo-1H-indazole (PubChem CID 24728219) has the molecular formula C7H5IN2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 4-iodo-1H-indazole.

Molecular Properties

Compound Name4-iodo-1H-indazole
PubChem CID24728219
Molecular FormulaC7H5IN2
Molecular Weight244.04 g/mol
Exact Mass243.95
IUPAC Name4-iodo-1H-indazole
SMILESIc1cccc2[nH]ncc12
InChIInChI=1S/C7H5IN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKeyCJQXSPSUIGJNJX-UHFFFAOYSA-N
XLogP2.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.17
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 4-iodo-1H-indazole?
The IUPAC name of 4-iodo-1H-indazole (CID 24728219) is 4-iodo-1H-indazole.
What is the SMILES notation for 4-iodo-1H-indazole?
The canonical SMILES for 4-iodo-1H-indazole is Ic1cccc2[nH]ncc12.
What is the InChIKey of 4-iodo-1H-indazole?
The InChIKey is CJQXSPSUIGJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10).
What are the key properties of 4-iodo-1H-indazole?
4-iodo-1H-indazole has a molecular weight of 244.04 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1H-indazole is sourced from PubChem (CID 24728219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).