lithium;bromourea;bromide

CH3Br2LiN2O — CID 175098948

IUPAClithium;bromourea;bromide
SMILESNC(=O)NBr.[Br-].[Li+]
InChIInChI=1S/CH3BrN2O.BrH.Li/c2-4-1(3)5;;/h(H3,3,4,5);1H;/q;;+1/p-1
InChIKeyCBFDHJGMZDABAT-UHFFFAOYSA-M
MW225.80 g/mol
LogP-6.03
Rot. Bonds

About lithium;bromourea;bromide

lithium;bromourea;bromide (PubChem CID 175098948) has the molecular formula CH3Br2LiN2O and a molecular weight of 225.80 g/mol. Its IUPAC name is lithium;bromourea;bromide.

Molecular Properties

Compound Namelithium;bromourea;bromide
PubChem CID175098948
Molecular FormulaCH3Br2LiN2O
Molecular Weight225.80 g/mol
Exact Mass223.88
IUPAC Namelithium;bromourea;bromide
SMILESNC(=O)NBr.[Br-].[Li+]
InChIInChI=1S/CH3BrN2O.BrH.Li/c2-4-1(3)5;;/h(H3,3,4,5);1H;/q;;+1/p-1
InChIKeyCBFDHJGMZDABAT-UHFFFAOYSA-M
XLogP-6.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.80
LogP ≤ 5-6.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 173237266
hydroxyurea;dihydrochloride
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CID 174966153
CID 174966153
diamino(113C)methanone
CID 636363
methylurea;ruthenium
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methylurea;hydrate
CID 141425619
hydrazine;methylurea
CID 158581810
1-(carbamoylamino)-3-oxidourea
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lithium carbamate
CID 23703745

Frequently Asked Questions

What is the IUPAC name of lithium;bromourea;bromide?
The IUPAC name of lithium;bromourea;bromide (CID 175098948) is lithium;bromourea;bromide.
What is the SMILES notation for lithium;bromourea;bromide?
The canonical SMILES for lithium;bromourea;bromide is NC(=O)NBr.[Br-].[Li+].
What is the InChIKey of lithium;bromourea;bromide?
The InChIKey is CBFDHJGMZDABAT-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3BrN2O.BrH.Li/c2-4-1(3)5;;/h(H3,3,4,5);1H;/q;;+1/p-1.
What are the key properties of lithium;bromourea;bromide?
lithium;bromourea;bromide has a molecular weight of 225.80 g/mol, XLogP of -6.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bromourea;bromide is sourced from PubChem (CID 175098948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).