3-bromo-4-chloro-5-iodo-2H-indazole

C7H3BrClIN2 — CID 131117451

IUPAC3-bromo-4-chloro-5-iodo-2H-indazole
SMILESClc1c(I)ccc2n[nH]c(Br)c12
InChIInChI=1S/C7H3BrClIN2/c8-7-5-4(11-12-7)2-1-3(10)6(5)9/h1-2H,(H,11,12)
InChIKeyVFSDDNVOPVAYFE-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.58
Rot. Bonds

About 3-bromo-4-chloro-5-iodo-2H-indazole

3-bromo-4-chloro-5-iodo-2H-indazole (PubChem CID 131117451) has the molecular formula C7H3BrClIN2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-bromo-4-chloro-5-iodo-2H-indazole.

Molecular Properties

Compound Name3-bromo-4-chloro-5-iodo-2H-indazole
PubChem CID131117451
Molecular FormulaC7H3BrClIN2
Molecular Weight357.38 g/mol
Exact Mass355.82
IUPAC Name3-bromo-4-chloro-5-iodo-2H-indazole
SMILESClc1c(I)ccc2n[nH]c(Br)c12
InChIInChI=1S/C7H3BrClIN2/c8-7-5-4(11-12-7)2-1-3(10)6(5)9/h1-2H,(H,11,12)
InChIKeyVFSDDNVOPVAYFE-UHFFFAOYSA-N
XLogP3.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.58
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

3-bromo-2H-indazole-4-carbaldehyde
CID 76846328
(3-bromo-5-methyl-2H-indazol-4-yl)boronic acid
CID 133061655
6-bromo-4-chloro-3-iodo-2H-indazole
CID 24728461
5-bromo-3-iodo-2H-indazole
CID 23156224
2-(3-bromo-2H-indazol-4-yl)acetonitrile
CID 84797968
1-bromo-3-chloro-4-iodo-2-methylbenzene
CID 90963698
3-iodo-4-methoxy-2H-indazol-5-amine
CID 89206256
4-chloro-5-iodo-1H-benzimidazole
CID 130951078
5-bromo-4-methoxy-3-methyl-2H-indazole
CID 84702333
3-bromo-4-piperidin-4-yl-2H-indazole
CID 117449484
3-bromo-4-(isocyanatomethyl)-2H-indazole
CID 117383049
2-chloro-3-fluoro-1,4-diiodobenzene
CID 118802327

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-5-iodo-2H-indazole?
The IUPAC name of 3-bromo-4-chloro-5-iodo-2H-indazole (CID 131117451) is 3-bromo-4-chloro-5-iodo-2H-indazole.
What is the SMILES notation for 3-bromo-4-chloro-5-iodo-2H-indazole?
The canonical SMILES for 3-bromo-4-chloro-5-iodo-2H-indazole is Clc1c(I)ccc2n[nH]c(Br)c12.
What is the InChIKey of 3-bromo-4-chloro-5-iodo-2H-indazole?
The InChIKey is VFSDDNVOPVAYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClIN2/c8-7-5-4(11-12-7)2-1-3(10)6(5)9/h1-2H,(H,11,12).
What are the key properties of 3-bromo-4-chloro-5-iodo-2H-indazole?
3-bromo-4-chloro-5-iodo-2H-indazole has a molecular weight of 357.38 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-5-iodo-2H-indazole is sourced from PubChem (CID 131117451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).