5-methyl-2-methyliodanuidylindazole

C9H10IN2- — CID 170951259

IUPAC5-methyl-2-methyliodanuidylindazole
SMILESC[I-]n1cc2cc(C)ccc2n1
InChIInChI=1S/C9H10IN2/c1-7-3-4-9-8(5-7)6-12(10-2)11-9/h3-6H,1-2H3/q-1
InChIKeyCBUDHHQARYHPNT-UHFFFAOYSA-N
MW273.10 g/mol
LogP-1.17
Rot. Bonds1

About 5-methyl-2-methyliodanuidylindazole

5-methyl-2-methyliodanuidylindazole (PubChem CID 170951259) has the molecular formula C9H10IN2- and a molecular weight of 273.10 g/mol. Its IUPAC name is 5-methyl-2-methyliodanuidylindazole.

Molecular Properties

Compound Name5-methyl-2-methyliodanuidylindazole
PubChem CID170951259
Molecular FormulaC9H10IN2-
Molecular Weight273.10 g/mol
Exact Mass272.99
IUPAC Name5-methyl-2-methyliodanuidylindazole
SMILESC[I-]n1cc2cc(C)ccc2n1
InChIInChI=1S/C9H10IN2/c1-7-3-4-9-8(5-7)6-12(10-2)11-9/h3-6H,1-2H3/q-1
InChIKeyCBUDHHQARYHPNT-UHFFFAOYSA-N
XLogP-1.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethylindazole
CID 58763639
2-hydroxy-5-methylindazole
CID 142403610
2,7-dimethylacridine
CID 14490101
5-methyl-2-(1-methylpiperidin-4-yl)indazole
CID 164997785
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
2,9-dimethylbenzo[c]cinnoline
CID 14472808
ethane;2-ethyl-6-methylindazole
CID 177232653
1-(2,5-dimethylindazol-3-yl)ethanol
CID 133058650
6-methylquinoline
CID 7059
2-(5-methyl-2-propan-2-ylindazol-3-yl)ethanol
CID 84724378
3,6-dimethyl-2-(3,4,5-trimethylphenyl)quinoline
CID 58871253
6-methyl-2-methylsulfonylquinoline
CID 138563727

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methyliodanuidylindazole?
The IUPAC name of 5-methyl-2-methyliodanuidylindazole (CID 170951259) is 5-methyl-2-methyliodanuidylindazole.
What is the SMILES notation for 5-methyl-2-methyliodanuidylindazole?
The canonical SMILES for 5-methyl-2-methyliodanuidylindazole is C[I-]n1cc2cc(C)ccc2n1.
What is the InChIKey of 5-methyl-2-methyliodanuidylindazole?
The InChIKey is CBUDHHQARYHPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN2/c1-7-3-4-9-8(5-7)6-12(10-2)11-9/h3-6H,1-2H3/q-1.
What are the key properties of 5-methyl-2-methyliodanuidylindazole?
5-methyl-2-methyliodanuidylindazole has a molecular weight of 273.10 g/mol, XLogP of -1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methyliodanuidylindazole is sourced from PubChem (CID 170951259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).