isocyanic acid;hydroiodide

CH2INO — CID 88505610

IUPACisocyanic acid;hydroiodide
SMILESI.N=C=O
InChIInChI=1S/CHNO.HI/c2-1-3;/h2H;1H
InChIKeyNBBNLJHTLSHHMM-UHFFFAOYSA-N
MW170.94 g/mol
LogP0.52
Rot. Bonds

About isocyanic acid;hydroiodide

isocyanic acid;hydroiodide (PubChem CID 88505610) has the molecular formula CH2INO and a molecular weight of 170.94 g/mol. Its IUPAC name is isocyanic acid;hydroiodide.

Molecular Properties

Compound Nameisocyanic acid;hydroiodide
PubChem CID88505610
Molecular FormulaCH2INO
Molecular Weight170.94 g/mol
Exact Mass170.92
IUPAC Nameisocyanic acid;hydroiodide
SMILESI.N=C=O
InChIInChI=1S/CHNO.HI/c2-1-3;/h2H;1H
InChIKeyNBBNLJHTLSHHMM-UHFFFAOYSA-N
XLogP0.52
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.94
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

isocyanic acid;trihydrochloride
CID 172863898
isocyanic acid;sulfane
CID 161242825
CID 87228309
CID 87228309
isocyanic acid;hydrate
CID 19755102
isocyanic acid;hydrofluoride
CID 175035145
isocyanic acid;zirconium
CID 173007129
isocyanic acid;nickel
CID 88815088
isocyanic acid;lanthanum
CID 160896504
isocyanic acid;methane
CID 173240059
isocyanic acid;hexahydrobromide
CID 172844137
hydrazine;isocyanic acid
CID 88746590
isocyanic acid;methane;hexahydrofluoride
CID 173057385

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;hydroiodide?
The IUPAC name of isocyanic acid;hydroiodide (CID 88505610) is isocyanic acid;hydroiodide.
What is the SMILES notation for isocyanic acid;hydroiodide?
The canonical SMILES for isocyanic acid;hydroiodide is I.N=C=O.
What is the InChIKey of isocyanic acid;hydroiodide?
The InChIKey is NBBNLJHTLSHHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO.HI/c2-1-3;/h2H;1H.
What are the key properties of isocyanic acid;hydroiodide?
isocyanic acid;hydroiodide has a molecular weight of 170.94 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;hydroiodide is sourced from PubChem (CID 88505610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).