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

C8H6ClIN2O — CID 163409897

IUPAC6-chloro-3-iodo-5-methoxy-2H-indazole
SMILESCOc1cc2c(I)[nH]nc2cc1Cl
InChIInChI=1S/C8H6ClIN2O/c1-13-7-2-4-6(3-5(7)9)11-12-8(4)10/h2-3H,1H3,(H,11,12)
InChIKeyDXPALLQLXOCOCC-UHFFFAOYSA-N
MW308.51 g/mol
LogP2.83
Rot. Bonds1

About 6-chloro-3-iodo-5-methoxy-2H-indazole

6-chloro-3-iodo-5-methoxy-2H-indazole (PubChem CID 163409897) has the molecular formula C8H6ClIN2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 6-chloro-3-iodo-5-methoxy-2H-indazole.

Molecular Properties

Compound Name6-chloro-3-iodo-5-methoxy-2H-indazole
PubChem CID163409897
Molecular FormulaC8H6ClIN2O
Molecular Weight308.51 g/mol
Exact Mass307.92
IUPAC Name6-chloro-3-iodo-5-methoxy-2H-indazole
SMILESCOc1cc2c(I)[nH]nc2cc1Cl
InChIInChI=1S/C8H6ClIN2O/c1-13-7-2-4-6(3-5(7)9)11-12-8(4)10/h2-3H,1H3,(H,11,12)
InChIKeyDXPALLQLXOCOCC-UHFFFAOYSA-N
XLogP2.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
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-5-methoxy-2H-indazole?
The IUPAC name of 6-chloro-3-iodo-5-methoxy-2H-indazole (CID 163409897) is 6-chloro-3-iodo-5-methoxy-2H-indazole.
What is the SMILES notation for 6-chloro-3-iodo-5-methoxy-2H-indazole?
The canonical SMILES for 6-chloro-3-iodo-5-methoxy-2H-indazole is COc1cc2c(I)[nH]nc2cc1Cl.
What is the InChIKey of 6-chloro-3-iodo-5-methoxy-2H-indazole?
The InChIKey is DXPALLQLXOCOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIN2O/c1-13-7-2-4-6(3-5(7)9)11-12-8(4)10/h2-3H,1H3,(H,11,12).
What are the key properties of 6-chloro-3-iodo-5-methoxy-2H-indazole?
6-chloro-3-iodo-5-methoxy-2H-indazole has a molecular weight of 308.51 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodo-5-methoxy-2H-indazole is sourced from PubChem (CID 163409897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).