[amino-(4-bromophenyl)methylidene]azanium chloride

C7H8BrClN2 — CID 11356795

IUPAC[amino-(4-bromophenyl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1ccc(Br)cc1.[Cl-]
InChIInChI=1S/C7H7BrN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyIMTHEBSPHHMJOJ-UHFFFAOYSA-N
MW235.51 g/mol
LogP-3.08
Rot. Bonds1

About [amino-(4-bromophenyl)methylidene]azanium chloride

[amino-(4-bromophenyl)methylidene]azanium chloride (PubChem CID 11356795) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is [amino-(4-bromophenyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-(4-bromophenyl)methylidene]azanium chloride
PubChem CID11356795
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name[amino-(4-bromophenyl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1ccc(Br)cc1.[Cl-]
InChIInChI=1S/C7H7BrN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyIMTHEBSPHHMJOJ-UHFFFAOYSA-N
XLogP-3.08
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 5-3.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-Bromobenzene-1-carboximidamide hydrochloride
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3-Bromo-benzamidine
CID 4620241

Frequently Asked Questions

What is the IUPAC name of [amino-(4-bromophenyl)methylidene]azanium chloride?
The IUPAC name of [amino-(4-bromophenyl)methylidene]azanium chloride (CID 11356795) is [amino-(4-bromophenyl)methylidene]azanium chloride.
What is the SMILES notation for [amino-(4-bromophenyl)methylidene]azanium chloride?
The canonical SMILES for [amino-(4-bromophenyl)methylidene]azanium chloride is NC(=[NH2+])c1ccc(Br)cc1.[Cl-].
What is the InChIKey of [amino-(4-bromophenyl)methylidene]azanium chloride?
The InChIKey is IMTHEBSPHHMJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H.
What are the key properties of [amino-(4-bromophenyl)methylidene]azanium chloride?
[amino-(4-bromophenyl)methylidene]azanium chloride has a molecular weight of 235.51 g/mol, XLogP of -3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-bromophenyl)methylidene]azanium chloride is sourced from PubChem (CID 11356795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).