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

C7H4ClIN2 — CID 22352410

IUPAC5-chloro-3-iodo-2H-indazole
SMILESClc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H4ClIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKeyZPFBQBOZEDHSGM-UHFFFAOYSA-N
MW278.48 g/mol
LogP2.82
Rot. Bonds

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

5-chloro-3-iodo-2H-indazole (PubChem CID 22352410) has the molecular formula C7H4ClIN2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 5-chloro-3-iodo-2H-indazole.

Molecular Properties

Compound Name5-chloro-3-iodo-2H-indazole
PubChem CID22352410
Molecular FormulaC7H4ClIN2
Molecular Weight278.48 g/mol
Exact Mass277.91
IUPAC Name5-chloro-3-iodo-2H-indazole
SMILESClc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H4ClIN2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11)
InChIKeyZPFBQBOZEDHSGM-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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Related Compounds

1H-Indazole, 5-chloro-
CID 69681
3-Amino-4-chloroindazole
CID 313444
7-Chloro-1H-indazole
CID 11116249
6-chloro-1H-indazole
CID 417524
4-Chloro-1H-indazole
CID 393037
7-Chloro-1H-indazol-3-amine
CID 20135774
3-Chloro-1H-indazole
CID 95894
6-chloro-1H-indazol-3-amine
CID 85628
3-Iodo-1H-indazole
CID 10911744
3,5-diiodo-1H-indazole
CID 22352381
3-Amino-5-chloro-1h-indazole
CID 21516164
3,5-Dichloro-1H-indazole
CID 268460

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-2H-indazole?
The IUPAC name of 5-chloro-3-iodo-2H-indazole (CID 22352410) is 5-chloro-3-iodo-2H-indazole.
What is the SMILES notation for 5-chloro-3-iodo-2H-indazole?
The canonical SMILES for 5-chloro-3-iodo-2H-indazole is Clc1ccc2n[nH]c(I)c2c1.
What is the InChIKey of 5-chloro-3-iodo-2H-indazole?
The InChIKey is ZPFBQBOZEDHSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2/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-chloro-3-iodo-2H-indazole?
5-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 5-chloro-3-iodo-2H-indazole is sourced from PubChem (CID 22352410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).