3-bromobenzenecarboximidamide

C7H7BrN2 — CID 4620241

IUPAC3-bromobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Br)c1
InChIInChI=1S/C7H7BrN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10)
InChIKeyJKYFHENVIWHGLJ-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.73
Rot. Bonds1

About 3-bromobenzenecarboximidamide

3-bromobenzenecarboximidamide (PubChem CID 4620241) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 3-bromobenzenecarboximidamide.

Molecular Properties

Compound Name3-bromobenzenecarboximidamide
PubChem CID4620241
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name3-bromobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Br)c1
InChIInChI=1S/C7H7BrN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10)
InChIKeyJKYFHENVIWHGLJ-UHFFFAOYSA-N
XLogP1.73
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 3-bromobenzenecarboximidamide?
The IUPAC name of 3-bromobenzenecarboximidamide (CID 4620241) is 3-bromobenzenecarboximidamide.
What is the SMILES notation for 3-bromobenzenecarboximidamide?
The canonical SMILES for 3-bromobenzenecarboximidamide is [H]/N=C(\N)c1cccc(Br)c1.
What is the InChIKey of 3-bromobenzenecarboximidamide?
The InChIKey is JKYFHENVIWHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H3,9,10).
What are the key properties of 3-bromobenzenecarboximidamide?
3-bromobenzenecarboximidamide has a molecular weight of 199.05 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobenzenecarboximidamide is sourced from PubChem (CID 4620241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).