4-bromo-N'-methoxybenzenecarboximidamide

C8H9BrN2O — CID 22042249

IUPAC4-bromo-N'-methoxybenzenecarboximidamide
SMILESCO/N=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O/c1-12-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3,(H2,10,11)
InChIKeyDMICSFLMUYPIOO-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.72
Rot. Bonds2

About 4-bromo-N'-methoxybenzenecarboximidamide

4-bromo-N'-methoxybenzenecarboximidamide (PubChem CID 22042249) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 4-bromo-N'-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-methoxybenzenecarboximidamide
PubChem CID22042249
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name4-bromo-N'-methoxybenzenecarboximidamide
SMILESCO/N=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O/c1-12-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3,(H2,10,11)
InChIKeyDMICSFLMUYPIOO-UHFFFAOYSA-N
XLogP1.72
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-methoxybenzenecarboximidamide?
The IUPAC name of 4-bromo-N'-methoxybenzenecarboximidamide (CID 22042249) is 4-bromo-N'-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-methoxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-methoxybenzenecarboximidamide is CO/N=C(\N)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-methoxybenzenecarboximidamide?
The InChIKey is DMICSFLMUYPIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-12-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3,(H2,10,11).
What are the key properties of 4-bromo-N'-methoxybenzenecarboximidamide?
4-bromo-N'-methoxybenzenecarboximidamide has a molecular weight of 229.08 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-methoxybenzenecarboximidamide is sourced from PubChem (CID 22042249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).