methylazanium bromate

CH6BrNO3 — CID 141309582

IUPACmethylazanium bromate
SMILESC[NH3+].[O-][Br+2]([O-])[O-]
InChIInChI=1S/CH5N.BrO3/c1-2;2-1(3)4/h2H2,1H3;/q;-1/p+1
InChIKeyOIXZYOORHYMSSO-UHFFFAOYSA-O
MW159.97 g/mol
LogP-4.71
Rot. Bonds

About methylazanium bromate

methylazanium bromate (PubChem CID 141309582) has the molecular formula CH6BrNO3 and a molecular weight of 159.97 g/mol. Its IUPAC name is methylazanium bromate.

Molecular Properties

Compound Namemethylazanium bromate
PubChem CID141309582
Molecular FormulaCH6BrNO3
Molecular Weight159.97 g/mol
Exact Mass158.95
IUPAC Namemethylazanium bromate
SMILESC[NH3+].[O-][Br+2]([O-])[O-]
InChIInChI=1S/CH5N.BrO3/c1-2;2-1(3)4/h2H2,1H3;/q;-1/p+1
InChIKeyOIXZYOORHYMSSO-UHFFFAOYSA-O
XLogP-4.71
TPSA96.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.97
LogP ≤ 5-4.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methylazanium bromate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylazanium bromate?
The IUPAC name of methylazanium bromate (CID 141309582) is methylazanium bromate.
What is the SMILES notation for methylazanium bromate?
The canonical SMILES for methylazanium bromate is C[NH3+].[O-][Br+2]([O-])[O-].
What is the InChIKey of methylazanium bromate?
The InChIKey is OIXZYOORHYMSSO-UHFFFAOYSA-O. The full InChI is InChI=1S/CH5N.BrO3/c1-2;2-1(3)4/h2H2,1H3;/q;-1/p+1.
What are the key properties of methylazanium bromate?
methylazanium bromate has a molecular weight of 159.97 g/mol, XLogP of -4.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium bromate is sourced from PubChem (CID 141309582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).