4-bromo-N'-(methylamino)benzenecarboximidamide

C8H10BrN3 — CID 58371887

IUPAC4-bromo-N'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrN3/c1-11-12-8(10)6-2-4-7(9)5-3-6/h2-5,11H,1H3,(H2,10,12)
InChIKeyUFSZNKVSICBFSV-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.29
Rot. Bonds2

About 4-bromo-N'-(methylamino)benzenecarboximidamide

4-bromo-N'-(methylamino)benzenecarboximidamide (PubChem CID 58371887) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 4-bromo-N'-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-(methylamino)benzenecarboximidamide
PubChem CID58371887
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name4-bromo-N'-(methylamino)benzenecarboximidamide
SMILESCN/N=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrN3/c1-11-12-8(10)6-2-4-7(9)5-3-6/h2-5,11H,1H3,(H2,10,12)
InChIKeyUFSZNKVSICBFSV-UHFFFAOYSA-N
XLogP1.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.29
H-Bond Donors ≤ 52
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'-(methylamino)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-(methylamino)benzenecarboximidamide (CID 58371887) is 4-bromo-N'-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-(methylamino)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-(methylamino)benzenecarboximidamide is CN/N=C(\N)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(methylamino)benzenecarboximidamide?
The InChIKey is UFSZNKVSICBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-11-12-8(10)6-2-4-7(9)5-3-6/h2-5,11H,1H3,(H2,10,12).
What are the key properties of 4-bromo-N'-(methylamino)benzenecarboximidamide?
4-bromo-N'-(methylamino)benzenecarboximidamide has a molecular weight of 228.09 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 58371887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).