6-bromo-7-iodo-1H-indazole

C7H4BrIN2 — CID 171662481

IUPAC6-bromo-7-iodo-1H-indazole
SMILESBrc1ccc2cn[nH]c2c1I
InChIInChI=1S/C7H4BrIN2/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H,(H,10,11)
InChIKeyFBSVDOHLWKEWNB-UHFFFAOYSA-N
MW322.93 g/mol
LogP2.93
Rot. Bonds

About 6-bromo-7-iodo-1H-indazole

6-bromo-7-iodo-1H-indazole (PubChem CID 171662481) has the molecular formula C7H4BrIN2 and a molecular weight of 322.93 g/mol. Its IUPAC name is 6-bromo-7-iodo-1H-indazole.

Molecular Properties

Compound Name6-bromo-7-iodo-1H-indazole
PubChem CID171662481
Molecular FormulaC7H4BrIN2
Molecular Weight322.93 g/mol
Exact Mass321.86
IUPAC Name6-bromo-7-iodo-1H-indazole
SMILESBrc1ccc2cn[nH]c2c1I
InChIInChI=1S/C7H4BrIN2/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H,(H,10,11)
InChIKeyFBSVDOHLWKEWNB-UHFFFAOYSA-N
XLogP2.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.93
LogP ≤ 52.93
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 6-bromo-7-iodo-1H-indazole?
The IUPAC name of 6-bromo-7-iodo-1H-indazole (CID 171662481) is 6-bromo-7-iodo-1H-indazole.
What is the SMILES notation for 6-bromo-7-iodo-1H-indazole?
The canonical SMILES for 6-bromo-7-iodo-1H-indazole is Brc1ccc2cn[nH]c2c1I.
What is the InChIKey of 6-bromo-7-iodo-1H-indazole?
The InChIKey is FBSVDOHLWKEWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrIN2/c8-5-2-1-4-3-10-11-7(4)6(5)9/h1-3H,(H,10,11).
What are the key properties of 6-bromo-7-iodo-1H-indazole?
6-bromo-7-iodo-1H-indazole has a molecular weight of 322.93 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-iodo-1H-indazole is sourced from PubChem (CID 171662481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).