sodium;hydride;iodomethylbenzene

C7H8INa — CID 173496893

IUPACsodium;hydride;iodomethylbenzene
SMILESICc1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H7I.Na.H/c8-6-7-4-2-1-3-5-7;;/h1-5H,6H2;;/q;+1;-1
InChIKeyAVZLDTQKPLLYCG-UHFFFAOYSA-N
MW242.04 g/mol
LogP-0.26
Rot. Bonds1

About sodium;hydride;iodomethylbenzene

sodium;hydride;iodomethylbenzene (PubChem CID 173496893) has the molecular formula C7H8INa and a molecular weight of 242.04 g/mol. Its IUPAC name is sodium;hydride;iodomethylbenzene.

Molecular Properties

Compound Namesodium;hydride;iodomethylbenzene
PubChem CID173496893
Molecular FormulaC7H8INa
Molecular Weight242.04 g/mol
Exact Mass241.96
IUPAC Namesodium;hydride;iodomethylbenzene
SMILESICc1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H7I.Na.H/c8-6-7-4-2-1-3-5-7;;/h1-5H,6H2;;/q;+1;-1
InChIKeyAVZLDTQKPLLYCG-UHFFFAOYSA-N
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.04
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

iodomethylbenzene;toluene
CID 160571748
sodium;hydride;phenylmethaneselenol
CID 173088869
disodium;hydride;phenylmethanol
CID 174792747
2-iodoethylbenzene;zinc
CID 70126598
1,2-bis(iodomethyl)benzene;1,3-bis(iodomethyl)benzene
CID 67650229
potassium;benzylbenzene;hydride
CID 173011788
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
sodium;hydride;2-phenylethaneselenol
CID 173389811
tetrabenzylgermane
CID 4197106
sodium phenylmethanamine
CID 172793696
sodium;hydride;2-(2-phenylethylselanyl)ethylbenzene
CID 173389810

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;iodomethylbenzene?
The IUPAC name of sodium;hydride;iodomethylbenzene (CID 173496893) is sodium;hydride;iodomethylbenzene.
What is the SMILES notation for sodium;hydride;iodomethylbenzene?
The canonical SMILES for sodium;hydride;iodomethylbenzene is ICc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;iodomethylbenzene?
The InChIKey is AVZLDTQKPLLYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I.Na.H/c8-6-7-4-2-1-3-5-7;;/h1-5H,6H2;;/q;+1;-1.
What are the key properties of sodium;hydride;iodomethylbenzene?
sodium;hydride;iodomethylbenzene has a molecular weight of 242.04 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;iodomethylbenzene is sourced from PubChem (CID 173496893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).