bromic acid;morpholine-4-carboximidamide

C5H12BrN3O4 — CID 86640118

IUPACbromic acid;morpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOCC1.[O-][Br+2]([O-])O
InChIInChI=1S/C5H11N3O.BrHO3/c6-5(7)8-1-3-9-4-2-8;2-1(3)4/h1-4H2,(H3,6,7);2H
InChIKeyFWVJDCRPVSCOSF-UHFFFAOYSA-N
MW258.07 g/mol
LogP-3.72
Rot. Bonds

About bromic acid;morpholine-4-carboximidamide

bromic acid;morpholine-4-carboximidamide (PubChem CID 86640118) has the molecular formula C5H12BrN3O4 and a molecular weight of 258.07 g/mol. Its IUPAC name is bromic acid;morpholine-4-carboximidamide.

Molecular Properties

Compound Namebromic acid;morpholine-4-carboximidamide
PubChem CID86640118
Molecular FormulaC5H12BrN3O4
Molecular Weight258.07 g/mol
Exact Mass257.00
IUPAC Namebromic acid;morpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOCC1.[O-][Br+2]([O-])O
InChIInChI=1S/C5H11N3O.BrHO3/c6-5(7)8-1-3-9-4-2-8;2-1(3)4/h1-4H2,(H3,6,7);2H
InChIKeyFWVJDCRPVSCOSF-UHFFFAOYSA-N
XLogP-3.72
TPSA128.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 5-3.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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;morpholine-4-carboximidamide?
The IUPAC name of bromic acid;morpholine-4-carboximidamide (CID 86640118) is bromic acid;morpholine-4-carboximidamide.
What is the SMILES notation for bromic acid;morpholine-4-carboximidamide?
The canonical SMILES for bromic acid;morpholine-4-carboximidamide is [H]/N=C(\N)N1CCOCC1.[O-][Br+2]([O-])O.
What is the InChIKey of bromic acid;morpholine-4-carboximidamide?
The InChIKey is FWVJDCRPVSCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.BrHO3/c6-5(7)8-1-3-9-4-2-8;2-1(3)4/h1-4H2,(H3,6,7);2H.
What are the key properties of bromic acid;morpholine-4-carboximidamide?
bromic acid;morpholine-4-carboximidamide has a molecular weight of 258.07 g/mol, XLogP of -3.72, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromic acid;morpholine-4-carboximidamide is sourced from PubChem (CID 86640118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).