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

C7H4ClIN2 — CID 22478007

IUPAC4-chloro-3-iodo-2H-indazole
SMILESClc1cccc2n[nH]c(I)c12
InChIInChI=1S/C7H4ClIN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
InChIKeyGOBJFDRCHXFRIE-UHFFFAOYSA-N
MW278.48 g/mol
LogP2.82
Rot. Bonds

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

4-chloro-3-iodo-2H-indazole (PubChem CID 22478007) has the molecular formula C7H4ClIN2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-chloro-3-iodo-2H-indazole.

Molecular Properties

Compound Name4-chloro-3-iodo-2H-indazole
PubChem CID22478007
Molecular FormulaC7H4ClIN2
Molecular Weight278.48 g/mol
Exact Mass277.91
IUPAC Name4-chloro-3-iodo-2H-indazole
SMILESClc1cccc2n[nH]c(I)c12
InChIInChI=1S/C7H4ClIN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
InChIKeyGOBJFDRCHXFRIE-UHFFFAOYSA-N
XLogP2.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 52.82
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-chloro-3-iodo-2H-indazole?
The IUPAC name of 4-chloro-3-iodo-2H-indazole (CID 22478007) is 4-chloro-3-iodo-2H-indazole.
What is the SMILES notation for 4-chloro-3-iodo-2H-indazole?
The canonical SMILES for 4-chloro-3-iodo-2H-indazole is Clc1cccc2n[nH]c(I)c12.
What is the InChIKey of 4-chloro-3-iodo-2H-indazole?
The InChIKey is GOBJFDRCHXFRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11).
What are the key properties of 4-chloro-3-iodo-2H-indazole?
4-chloro-3-iodo-2H-indazole has a molecular weight of 278.48 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-2H-indazole is sourced from PubChem (CID 22478007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).