5-bromo-7-iodo-6-methoxy-2-methylindazole

C9H8BrIN2O — CID 178051065

IUPAC5-bromo-7-iodo-6-methoxy-2-methylindazole
SMILESCOc1c(Br)cc2cn(C)nc2c1I
InChIInChI=1S/C9H8BrIN2O/c1-13-4-5-3-6(10)9(14-2)7(11)8(5)12-13/h3-4H,1-2H3
InChIKeyYVLJDLGEYZTRDM-UHFFFAOYSA-N
MW366.98 g/mol
LogP2.95
Rot. Bonds1

About 5-bromo-7-iodo-6-methoxy-2-methylindazole

5-bromo-7-iodo-6-methoxy-2-methylindazole (PubChem CID 178051065) has the molecular formula C9H8BrIN2O and a molecular weight of 366.98 g/mol. Its IUPAC name is 5-bromo-7-iodo-6-methoxy-2-methylindazole.

Molecular Properties

Compound Name5-bromo-7-iodo-6-methoxy-2-methylindazole
PubChem CID178051065
Molecular FormulaC9H8BrIN2O
Molecular Weight366.98 g/mol
Exact Mass365.89
IUPAC Name5-bromo-7-iodo-6-methoxy-2-methylindazole
SMILESCOc1c(Br)cc2cn(C)nc2c1I
InChIInChI=1S/C9H8BrIN2O/c1-13-4-5-3-6(10)9(14-2)7(11)8(5)12-13/h3-4H,1-2H3
InChIKeyYVLJDLGEYZTRDM-UHFFFAOYSA-N
XLogP2.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.98
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-methoxy-2-methylindazole-7-carbonitrile
CID 168977559
5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole
CID 178050969
5-ethyl-7-fluoro-6-methoxy-2-methylindazole
CID 167501474
5-tert-butyl-7-methoxy-2-methylindazole
CID 164740649
7-methoxy-2-methylindazole-5-carbaldehyde
CID 117110214
7-bromo-2-methylindazole;ethane
CID 155591280
5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol
CID 155752048
5-bromo-2-methylindazole-7-carbaldehyde
CID 117110228
7-bromo-6-fluoro-2-methylindazol-5-amine
CID 171792771
5-bromo-2-fluoro-3-iodo-4-methoxyaniline
CID 118609335
ethane;2,5,7-trimethylindazol-6-ol
CID 162433004
6-methoxy-2,5-dimethylindazole
CID 162433035

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-iodo-6-methoxy-2-methylindazole?
The IUPAC name of 5-bromo-7-iodo-6-methoxy-2-methylindazole (CID 178051065) is 5-bromo-7-iodo-6-methoxy-2-methylindazole.
What is the SMILES notation for 5-bromo-7-iodo-6-methoxy-2-methylindazole?
The canonical SMILES for 5-bromo-7-iodo-6-methoxy-2-methylindazole is COc1c(Br)cc2cn(C)nc2c1I.
What is the InChIKey of 5-bromo-7-iodo-6-methoxy-2-methylindazole?
The InChIKey is YVLJDLGEYZTRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrIN2O/c1-13-4-5-3-6(10)9(14-2)7(11)8(5)12-13/h3-4H,1-2H3.
What are the key properties of 5-bromo-7-iodo-6-methoxy-2-methylindazole?
5-bromo-7-iodo-6-methoxy-2-methylindazole has a molecular weight of 366.98 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-iodo-6-methoxy-2-methylindazole is sourced from PubChem (CID 178051065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).