4-iodo-1-methyl-5H-indol-5-ide;rutherfordium

C9H7INRf- — CID 134844790

IUPAC4-iodo-1-methyl-5H-indol-5-ide;rutherfordium
SMILESCn1ccc2c(I)[c-]ccc21.[Rf]
InChIInChI=1S/C9H7IN.Rf/c1-11-6-5-7-8(10)3-2-4-9(7)11;/h2,4-6H,1H3;/q-1;
InChIKeyYQOAUPCGGVTVOP-UHFFFAOYSA-N
MW523.07 g/mol
LogP2.58
Rot. Bonds

About 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium

4-iodo-1-methyl-5H-indol-5-ide;rutherfordium (PubChem CID 134844790) has the molecular formula C9H7INRf- and a molecular weight of 523.07 g/mol. Its IUPAC name is 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium.

Molecular Properties

Compound Name4-iodo-1-methyl-5H-indol-5-ide;rutherfordium
PubChem CID134844790
Molecular FormulaC9H7INRf-
Molecular Weight523.07 g/mol
Exact Mass523.08
IUPAC Name4-iodo-1-methyl-5H-indol-5-ide;rutherfordium
SMILESCn1ccc2c(I)[c-]ccc21.[Rf]
InChIInChI=1S/C9H7IN.Rf/c1-11-6-5-7-8(10)3-2-4-9(7)11;/h2,4-6H,1H3;/q-1;
InChIKeyYQOAUPCGGVTVOP-UHFFFAOYSA-N
XLogP2.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.07
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene
CID 168810962
4-chloro-5-ethoxy-1-methylindole
CID 126732659
2-(4-fluoro-1-methylindol-5-yl)ethanamine
CID 96624175
N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
CID 112524553
5-iodo-1-methylindole
CID 11322835
1-methyl-4-propylindole
CID 59939717
2-(4-chloro-1-methylindol-5-yl)acetonitrile
CID 84778134
2-(4-chloro-1-methylindol-5-yl)propan-1-ol
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CID 134981351

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium?
The IUPAC name of 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium (CID 134844790) is 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium.
What is the SMILES notation for 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium?
The canonical SMILES for 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium is Cn1ccc2c(I)[c-]ccc21.[Rf].
What is the InChIKey of 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium?
The InChIKey is YQOAUPCGGVTVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN.Rf/c1-11-6-5-7-8(10)3-2-4-9(7)11;/h2,4-6H,1H3;/q-1;.
What are the key properties of 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium?
4-iodo-1-methyl-5H-indol-5-ide;rutherfordium has a molecular weight of 523.07 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-5H-indol-5-ide;rutherfordium is sourced from PubChem (CID 134844790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).