2-bromobenzenecarboximidamide

C7H7BrN2 — CID 3635759

IUPAC2-bromobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Br
InChIInChI=1S/C7H7BrN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
InChIKeyPIHUJDNZNWCAMK-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.73
Rot. Bonds1

About 2-bromobenzenecarboximidamide

2-bromobenzenecarboximidamide (PubChem CID 3635759) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 2-bromobenzenecarboximidamide.

Molecular Properties

Compound Name2-bromobenzenecarboximidamide
PubChem CID3635759
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name2-bromobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1Br
InChIInChI=1S/C7H7BrN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10)
InChIKeyPIHUJDNZNWCAMK-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 2-bromobenzenecarboximidamide?
The IUPAC name of 2-bromobenzenecarboximidamide (CID 3635759) is 2-bromobenzenecarboximidamide.
What is the SMILES notation for 2-bromobenzenecarboximidamide?
The canonical SMILES for 2-bromobenzenecarboximidamide is [H]/N=C(\N)c1ccccc1Br.
What is the InChIKey of 2-bromobenzenecarboximidamide?
The InChIKey is PIHUJDNZNWCAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H3,9,10).
What are the key properties of 2-bromobenzenecarboximidamide?
2-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 2-bromobenzenecarboximidamide is sourced from PubChem (CID 3635759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).