bromic acid;guanidine

CH6BrN3O3 — CID 161208850

IUPACbromic acid;guanidine
SMILES[H]N=C(N)N.[O-][Br+2]([O-])O
InChIInChI=1S/CH5N3.BrHO3/c2*2-1(3)4/h(H5,2,3,4);2H
InChIKeyFZGARSRJHAMUOW-UHFFFAOYSA-N
MW187.98 g/mol
LogP-4.10
Rot. Bonds

About bromic acid;guanidine

bromic acid;guanidine (PubChem CID 161208850) has the molecular formula CH6BrN3O3 and a molecular weight of 187.98 g/mol. Its IUPAC name is bromic acid;guanidine.

Molecular Properties

Compound Namebromic acid;guanidine
PubChem CID161208850
Molecular FormulaCH6BrN3O3
Molecular Weight187.98 g/mol
Exact Mass186.96
IUPAC Namebromic acid;guanidine
SMILES[H]N=C(N)N.[O-][Br+2]([O-])O
InChIInChI=1S/CH5N3.BrHO3/c2*2-1(3)4/h(H5,2,3,4);2H
InChIKeyFZGARSRJHAMUOW-UHFFFAOYSA-N
XLogP-4.10
TPSA142.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.98
LogP ≤ 5-4.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromic acid;guanidine?
The IUPAC name of bromic acid;guanidine (CID 161208850) is bromic acid;guanidine.
What is the SMILES notation for bromic acid;guanidine?
The canonical SMILES for bromic acid;guanidine is [H]N=C(N)N.[O-][Br+2]([O-])O.
What is the InChIKey of bromic acid;guanidine?
The InChIKey is FZGARSRJHAMUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.BrHO3/c2*2-1(3)4/h(H5,2,3,4);2H.
What are the key properties of bromic acid;guanidine?
bromic acid;guanidine has a molecular weight of 187.98 g/mol, XLogP of -4.10, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromic acid;guanidine is sourced from PubChem (CID 161208850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).