2-bromobenzenecarboximidamide;hydrochloride

C7H8BrClN2 — CID 11680262

IUPAC2-bromobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1Br
InChIInChI=1S/C7H7BrN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyRRULRSLJNLFGNK-UHFFFAOYSA-N
MW235.51 g/mol
LogP2.15
Rot. Bonds1

About 2-bromobenzenecarboximidamide;hydrochloride

2-bromobenzenecarboximidamide;hydrochloride (PubChem CID 11680262) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 2-bromobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-bromobenzenecarboximidamide;hydrochloride
PubChem CID11680262
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name2-bromobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1Br
InChIInChI=1S/C7H7BrN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyRRULRSLJNLFGNK-UHFFFAOYSA-N
XLogP2.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 52.15
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;hydrochloride?
The IUPAC name of 2-bromobenzenecarboximidamide;hydrochloride (CID 11680262) is 2-bromobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-bromobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-bromobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1Br.
What is the InChIKey of 2-bromobenzenecarboximidamide;hydrochloride?
The InChIKey is RRULRSLJNLFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H.
What are the key properties of 2-bromobenzenecarboximidamide;hydrochloride?
2-bromobenzenecarboximidamide;hydrochloride has a molecular weight of 235.51 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 11680262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).