4-chloro-3-iodo-7-methyl-2H-indazole

C8H6ClIN2 — CID 171662341

IUPAC4-chloro-3-iodo-7-methyl-2H-indazole
SMILESCc1ccc(Cl)c2c(I)[nH]nc12
InChIInChI=1S/C8H6ClIN2/c1-4-2-3-5(9)6-7(4)11-12-8(6)10/h2-3H,1H3,(H,11,12)
InChIKeyAURXXSYODWZJBV-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.13
Rot. Bonds

About 4-chloro-3-iodo-7-methyl-2H-indazole

4-chloro-3-iodo-7-methyl-2H-indazole (PubChem CID 171662341) has the molecular formula C8H6ClIN2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-chloro-3-iodo-7-methyl-2H-indazole.

Molecular Properties

Compound Name4-chloro-3-iodo-7-methyl-2H-indazole
PubChem CID171662341
Molecular FormulaC8H6ClIN2
Molecular Weight292.51 g/mol
Exact Mass291.93
IUPAC Name4-chloro-3-iodo-7-methyl-2H-indazole
SMILESCc1ccc(Cl)c2c(I)[nH]nc12
InChIInChI=1S/C8H6ClIN2/c1-4-2-3-5(9)6-7(4)11-12-8(6)10/h2-3H,1H3,(H,11,12)
InChIKeyAURXXSYODWZJBV-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.13
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-7-methyl-2H-indazole?
The IUPAC name of 4-chloro-3-iodo-7-methyl-2H-indazole (CID 171662341) is 4-chloro-3-iodo-7-methyl-2H-indazole.
What is the SMILES notation for 4-chloro-3-iodo-7-methyl-2H-indazole?
The canonical SMILES for 4-chloro-3-iodo-7-methyl-2H-indazole is Cc1ccc(Cl)c2c(I)[nH]nc12.
What is the InChIKey of 4-chloro-3-iodo-7-methyl-2H-indazole?
The InChIKey is AURXXSYODWZJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIN2/c1-4-2-3-5(9)6-7(4)11-12-8(6)10/h2-3H,1H3,(H,11,12).
What are the key properties of 4-chloro-3-iodo-7-methyl-2H-indazole?
4-chloro-3-iodo-7-methyl-2H-indazole has a molecular weight of 292.51 g/mol, XLogP of 3.13, 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-7-methyl-2H-indazole is sourced from PubChem (CID 171662341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).