bromic acid;methanimidamide

CH5BrN2O3 — CID 172789223

IUPACbromic acid;methanimidamide
SMILES[H]/N=C/N.[O-][Br+2]([O-])O
InChIInChI=1S/CH4N2.BrHO3/c2-1-3;2-1(3)4/h1H,(H3,2,3);2H
InChIKeyKLXPZSPWRDPMBY-UHFFFAOYSA-N
MW172.97 g/mol
LogP-3.38
Rot. Bonds

About bromic acid;methanimidamide

bromic acid;methanimidamide (PubChem CID 172789223) has the molecular formula CH5BrN2O3 and a molecular weight of 172.97 g/mol. Its IUPAC name is bromic acid;methanimidamide.

Molecular Properties

Compound Namebromic acid;methanimidamide
PubChem CID172789223
Molecular FormulaCH5BrN2O3
Molecular Weight172.97 g/mol
Exact Mass171.95
IUPAC Namebromic acid;methanimidamide
SMILES[H]/N=C/N.[O-][Br+2]([O-])O
InChIInChI=1S/CH4N2.BrHO3/c2-1-3;2-1(3)4/h1H,(H3,2,3);2H
InChIKeyKLXPZSPWRDPMBY-UHFFFAOYSA-N
XLogP-3.38
TPSA116.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.97
LogP ≤ 5-3.38
H-Bond Donors ≤ 53
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;methanimidamide?
The IUPAC name of bromic acid;methanimidamide (CID 172789223) is bromic acid;methanimidamide.
What is the SMILES notation for bromic acid;methanimidamide?
The canonical SMILES for bromic acid;methanimidamide is [H]/N=C/N.[O-][Br+2]([O-])O.
What is the InChIKey of bromic acid;methanimidamide?
The InChIKey is KLXPZSPWRDPMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2.BrHO3/c2-1-3;2-1(3)4/h1H,(H3,2,3);2H.
What are the key properties of bromic acid;methanimidamide?
bromic acid;methanimidamide has a molecular weight of 172.97 g/mol, XLogP of -3.38, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromic acid;methanimidamide is sourced from PubChem (CID 172789223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).