oxalonitrile;hydrobromide

C2HBrN2 — CID 86604310

IUPACoxalonitrile;hydrobromide
SMILESBr.N#CC#N
InChIInChI=1S/C2N2.BrH/c3-1-2-4;/h;1H
InChIKeyMTHMVLLKCNMJQL-UHFFFAOYSA-N
MW132.95 g/mol
LogP0.61
Rot. Bonds

About oxalonitrile;hydrobromide

oxalonitrile;hydrobromide (PubChem CID 86604310) has the molecular formula C2HBrN2 and a molecular weight of 132.95 g/mol. Its IUPAC name is oxalonitrile;hydrobromide.

Molecular Properties

Compound Nameoxalonitrile;hydrobromide
PubChem CID86604310
Molecular FormulaC2HBrN2
Molecular Weight132.95 g/mol
Exact Mass131.93
IUPAC Nameoxalonitrile;hydrobromide
SMILESBr.N#CC#N
InChIInChI=1S/C2N2.BrH/c3-1-2-4;/h;1H
InChIKeyMTHMVLLKCNMJQL-UHFFFAOYSA-N
XLogP0.61
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.95
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

krypton;oxalonitrile
CID 158797974
bis(oxalonitrile);hydrochloride
CID 88841544
chloroform;oxalonitrile;hydrobromide
CID 88658029
chromium;nickel;oxalonitrile
CID 159271487
oxalonitrile;hydrochloride;hydroiodide
CID 161106435
nickel;oxalonitrile;zinc
CID 160956168
cyanic acid;hydrobromide
CID 174709183
carbononitridic bromide
CID 160583865
cyanic acid
CID 540
oxalonitrile;thiourea
CID 160888969
oxalonitrile;sulfane;trifluoroborane
CID 175034013
oxalonitrile;tetrakis(propan-2-ol)
CID 175130826

Frequently Asked Questions

What is the IUPAC name of oxalonitrile;hydrobromide?
The IUPAC name of oxalonitrile;hydrobromide (CID 86604310) is oxalonitrile;hydrobromide.
What is the SMILES notation for oxalonitrile;hydrobromide?
The canonical SMILES for oxalonitrile;hydrobromide is Br.N#CC#N.
What is the InChIKey of oxalonitrile;hydrobromide?
The InChIKey is MTHMVLLKCNMJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2.BrH/c3-1-2-4;/h;1H.
What are the key properties of oxalonitrile;hydrobromide?
oxalonitrile;hydrobromide has a molecular weight of 132.95 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;hydrobromide is sourced from PubChem (CID 86604310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).