nitromethane;hydroiodide

CH4INO2 — CID 159753263

IUPACnitromethane;hydroiodide
SMILESC[N+](=O)[O-].I
InChIInChI=1S/CH3NO2.HI/c1-2(3)4;/h1H3;1H
InChIKeyTXUZDHFVBBCYGN-UHFFFAOYSA-N
MW188.95 g/mol
LogP0.51
Rot. Bonds

About nitromethane;hydroiodide

nitromethane;hydroiodide (PubChem CID 159753263) has the molecular formula CH4INO2 and a molecular weight of 188.95 g/mol. Its IUPAC name is nitromethane;hydroiodide.

Molecular Properties

Compound Namenitromethane;hydroiodide
PubChem CID159753263
Molecular FormulaCH4INO2
Molecular Weight188.95 g/mol
Exact Mass188.93
IUPAC Namenitromethane;hydroiodide
SMILESC[N+](=O)[O-].I
InChIInChI=1S/CH3NO2.HI/c1-2(3)4;/h1H3;1H
InChIKeyTXUZDHFVBBCYGN-UHFFFAOYSA-N
XLogP0.51
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.95
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitromethane;hydroiodide?
The IUPAC name of nitromethane;hydroiodide (CID 159753263) is nitromethane;hydroiodide.
What is the SMILES notation for nitromethane;hydroiodide?
The canonical SMILES for nitromethane;hydroiodide is C[N+](=O)[O-].I.
What is the InChIKey of nitromethane;hydroiodide?
The InChIKey is TXUZDHFVBBCYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2.HI/c1-2(3)4;/h1H3;1H.
What are the key properties of nitromethane;hydroiodide?
nitromethane;hydroiodide has a molecular weight of 188.95 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitromethane;hydroiodide is sourced from PubChem (CID 159753263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).