5-bromo-3-iodo-2H-indazole

C7H4BrIN2 — CID 23156224

IUPAC5-bromo-3-iodo-2H-indazole
SMILESBrc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H4BrIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKeyIBFAYUXCRDDBRD-UHFFFAOYSA-N
MW322.93 g/mol
LogP2.93
Rot. Bonds

About 5-bromo-3-iodo-2H-indazole

5-bromo-3-iodo-2H-indazole (PubChem CID 23156224) has the molecular formula C7H4BrIN2 and a molecular weight of 322.93 g/mol. Its IUPAC name is 5-bromo-3-iodo-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-iodo-2H-indazole
PubChem CID23156224
Molecular FormulaC7H4BrIN2
Molecular Weight322.93 g/mol
Exact Mass321.86
IUPAC Name5-bromo-3-iodo-2H-indazole
SMILESBrc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H4BrIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKeyIBFAYUXCRDDBRD-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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Related Compounds

5-bromo-3-fluoro-2H-indazole
CID 66793399
5-bromo-3-(fluoromethyl)-2H-indazole
CID 84692330
3-iodo-2H-indazol-5-ol
CID 24728255
5-bromo-3-methylsulfonyl-2H-indazole
CID 54229595
3-benzyl-5-bromo-2H-indazole
CID 66915538
5-bromo-3-cyclobutyl-2H-indazole
CID 66826429
1-(5-bromo-2H-indazol-3-yl)cyclopropan-1-amine
CID 175349705
1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 83913468
2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid
CID 83913593
2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine
CID 84729142
3-iodo-2H-indazole-5-sulfonic acid
CID 91245688
tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane
CID 66646911

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-2H-indazole?
The IUPAC name of 5-bromo-3-iodo-2H-indazole (CID 23156224) is 5-bromo-3-iodo-2H-indazole.
What is the SMILES notation for 5-bromo-3-iodo-2H-indazole?
The canonical SMILES for 5-bromo-3-iodo-2H-indazole is Brc1ccc2n[nH]c(I)c2c1.
What is the InChIKey of 5-bromo-3-iodo-2H-indazole?
The InChIKey is IBFAYUXCRDDBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11).
What are the key properties of 5-bromo-3-iodo-2H-indazole?
5-bromo-3-iodo-2H-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 5-bromo-3-iodo-2H-indazole is sourced from PubChem (CID 23156224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).