6-chloro-3-iodo-1-methylindazole

C8H6ClIN2 — CID 71279610

IUPAC6-chloro-3-iodo-1-methylindazole
SMILESCn1nc(I)c2ccc(Cl)cc21
InChIInChI=1S/C8H6ClIN2/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3
InChIKeyWZWBJGPOMSRQQW-UHFFFAOYSA-N
MW292.51 g/mol
LogP2.83
Rot. Bonds

About 6-chloro-3-iodo-1-methylindazole

6-chloro-3-iodo-1-methylindazole (PubChem CID 71279610) has the molecular formula C8H6ClIN2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 6-chloro-3-iodo-1-methylindazole.

Molecular Properties

Compound Name6-chloro-3-iodo-1-methylindazole
PubChem CID71279610
Molecular FormulaC8H6ClIN2
Molecular Weight292.51 g/mol
Exact Mass291.93
IUPAC Name6-chloro-3-iodo-1-methylindazole
SMILESCn1nc(I)c2ccc(Cl)cc21
InChIInChI=1S/C8H6ClIN2/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3
InChIKeyWZWBJGPOMSRQQW-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodo-1-methylindazole?
The IUPAC name of 6-chloro-3-iodo-1-methylindazole (CID 71279610) is 6-chloro-3-iodo-1-methylindazole.
What is the SMILES notation for 6-chloro-3-iodo-1-methylindazole?
The canonical SMILES for 6-chloro-3-iodo-1-methylindazole is Cn1nc(I)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-3-iodo-1-methylindazole?
The InChIKey is WZWBJGPOMSRQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIN2/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3.
What are the key properties of 6-chloro-3-iodo-1-methylindazole?
6-chloro-3-iodo-1-methylindazole has a molecular weight of 292.51 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-1-methylindazole is sourced from PubChem (CID 71279610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).