cyanic acid;hydrobromide

C2H3BrN2O2 — CID 174709183

IUPACcyanic acid;hydrobromide
SMILESBr.N#CO.N#CO
InChIInChI=1S/2CHNO.BrH/c2*2-1-3;/h2*3H;1H
InChIKeyOQJSYHMAWXEFJJ-UHFFFAOYSA-N
MW166.96 g/mol
LogP0.26
Rot. Bonds

About cyanic acid;hydrobromide

cyanic acid;hydrobromide (PubChem CID 174709183) has the molecular formula C2H3BrN2O2 and a molecular weight of 166.96 g/mol. Its IUPAC name is cyanic acid;hydrobromide.

Molecular Properties

Compound Namecyanic acid;hydrobromide
PubChem CID174709183
Molecular FormulaC2H3BrN2O2
Molecular Weight166.96 g/mol
Exact Mass165.94
IUPAC Namecyanic acid;hydrobromide
SMILESBr.N#CO.N#CO
InChIInChI=1S/2CHNO.BrH/c2*2-1-3;/h2*3H;1H
InChIKeyOQJSYHMAWXEFJJ-UHFFFAOYSA-N
XLogP0.26
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.96
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

cyanic acid
CID 540
cyanic acid;vanadium
CID 173176163
cyanic acid;silver
CID 516935
cyanic acid;iron(2+)
CID 158320368
CID 173447001
CID 173447001
cyanic acid;iron;manganese
CID 166066547
CID 162144266
CID 162144266
lithium;cyanic acid;hydride
CID 173026699
oxalonitrile;hydrobromide
CID 86604310
potassium;cyanic acid;hydride;iron
CID 173215812
carbanide;cyanic acid;methane;yttrium
CID 157168451
potassium;cyanic acid;gold;hydride
CID 173242503

Frequently Asked Questions

What is the IUPAC name of cyanic acid;hydrobromide?
The IUPAC name of cyanic acid;hydrobromide (CID 174709183) is cyanic acid;hydrobromide.
What is the SMILES notation for cyanic acid;hydrobromide?
The canonical SMILES for cyanic acid;hydrobromide is Br.N#CO.N#CO.
What is the InChIKey of cyanic acid;hydrobromide?
The InChIKey is OQJSYHMAWXEFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHNO.BrH/c2*2-1-3;/h2*3H;1H.
What are the key properties of cyanic acid;hydrobromide?
cyanic acid;hydrobromide has a molecular weight of 166.96 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;hydrobromide is sourced from PubChem (CID 174709183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).