barium(2+);bromo cyanate;hydride

CH2BaBrNO — CID 174987279

IUPACbarium(2+);bromo cyanate;hydride
SMILESN#COBr.[Ba+2].[H-].[H-]
InChIInChI=1S/CBrNO.Ba.2H/c2-4-1-3;;;/q;+2;2*-1
InChIKeyKCQQNDPWMBCXGO-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.64
Rot. Bonds

About barium(2+);bromo cyanate;hydride

barium(2+);bromo cyanate;hydride (PubChem CID 174987279) has the molecular formula CH2BaBrNO and a molecular weight of 261.26 g/mol. Its IUPAC name is barium(2+);bromo cyanate;hydride.

Molecular Properties

Compound Namebarium(2+);bromo cyanate;hydride
PubChem CID174987279
Molecular FormulaCH2BaBrNO
Molecular Weight261.26 g/mol
Exact Mass260.84
IUPAC Namebarium(2+);bromo cyanate;hydride
SMILESN#COBr.[Ba+2].[H-].[H-]
InChIInChI=1S/CBrNO.Ba.2H/c2-4-1-3;;;/q;+2;2*-1
InChIKeyKCQQNDPWMBCXGO-UHFFFAOYSA-N
XLogP0.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromo peroxycyanate
CID 162697951
sodium;hydride;phosphanyl cyanate
CID 174818007
sodium;fluoro cyanate;hydride
CID 175390486
potassium;amino cyanate;hydride
CID 174784610
bis(barium(2+));hydride;trihydrate
CID 175412188
carbononitridic bromide
CID 160583865
germylformonitrile
CID 71356013
ethyl cyanate;methane
CID 157371162
[bromo(chloro)-λ3-iodanyl] cyanate
CID 150516200
(cyanatodiazenyl) cyanate
CID 175722375
cyanatosulfanyl cyanate
CID 54444276
tricyanatostannyl cyanate
CID 141124665

Frequently Asked Questions

What is the IUPAC name of barium(2+);bromo cyanate;hydride?
The IUPAC name of barium(2+);bromo cyanate;hydride (CID 174987279) is barium(2+);bromo cyanate;hydride.
What is the SMILES notation for barium(2+);bromo cyanate;hydride?
The canonical SMILES for barium(2+);bromo cyanate;hydride is N#COBr.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);bromo cyanate;hydride?
The InChIKey is KCQQNDPWMBCXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/CBrNO.Ba.2H/c2-4-1-3;;;/q;+2;2*-1.
What are the key properties of barium(2+);bromo cyanate;hydride?
barium(2+);bromo cyanate;hydride has a molecular weight of 261.26 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bromo cyanate;hydride is sourced from PubChem (CID 174987279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).