5-iodo-3-methoxy-1H-indazole

C8H7IN2O — CID 133062595

IUPAC5-iodo-3-methoxy-1H-indazole
SMILESCOc1n[nH]c2ccc(I)cc12
InChIInChI=1S/C8H7IN2O/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChIKeyMRFUPSCMONXBTF-UHFFFAOYSA-N
MW274.06 g/mol
LogP2.18
Rot. Bonds1

About 5-iodo-3-methoxy-1H-indazole

5-iodo-3-methoxy-1H-indazole (PubChem CID 133062595) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 5-iodo-3-methoxy-1H-indazole.

Molecular Properties

Compound Name5-iodo-3-methoxy-1H-indazole
PubChem CID133062595
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name5-iodo-3-methoxy-1H-indazole
SMILESCOc1n[nH]c2ccc(I)cc12
InChIInChI=1S/C8H7IN2O/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChIKeyMRFUPSCMONXBTF-UHFFFAOYSA-N
XLogP2.18
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 52.18
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 5-iodo-3-methoxy-1H-indazole?
The IUPAC name of 5-iodo-3-methoxy-1H-indazole (CID 133062595) is 5-iodo-3-methoxy-1H-indazole.
What is the SMILES notation for 5-iodo-3-methoxy-1H-indazole?
The canonical SMILES for 5-iodo-3-methoxy-1H-indazole is COc1n[nH]c2ccc(I)cc12.
What is the InChIKey of 5-iodo-3-methoxy-1H-indazole?
The InChIKey is MRFUPSCMONXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c1-12-8-6-4-5(9)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11).
What are the key properties of 5-iodo-3-methoxy-1H-indazole?
5-iodo-3-methoxy-1H-indazole has a molecular weight of 274.06 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methoxy-1H-indazole is sourced from PubChem (CID 133062595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).