[amino-(4-bromophenyl)methylidene]azanium

C7H8BrN2+ — CID 6346900

IUPAC[amino-(4-bromophenyl)methylidene]azanium
SMILESNC(=[NH2+])c1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)/p+1
InChIKeyJODFDXUBCBQKNC-UHFFFAOYSA-O
MW200.06 g/mol
LogP-0.09
Rot. Bonds1

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

[amino-(4-bromophenyl)methylidene]azanium (PubChem CID 6346900) has the molecular formula C7H8BrN2+ and a molecular weight of 200.06 g/mol. Its IUPAC name is [amino-(4-bromophenyl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(4-bromophenyl)methylidene]azanium
PubChem CID6346900
Molecular FormulaC7H8BrN2+
Molecular Weight200.06 g/mol
Exact Mass198.99
IUPAC Name[amino-(4-bromophenyl)methylidene]azanium
SMILESNC(=[NH2+])c1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)/p+1
InChIKeyJODFDXUBCBQKNC-UHFFFAOYSA-O
XLogP-0.09
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.06
LogP ≤ 5-0.09
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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Frequently Asked Questions

What is the IUPAC name of [amino-(4-bromophenyl)methylidene]azanium?
The IUPAC name of [amino-(4-bromophenyl)methylidene]azanium (CID 6346900) is [amino-(4-bromophenyl)methylidene]azanium.
What is the SMILES notation for [amino-(4-bromophenyl)methylidene]azanium?
The canonical SMILES for [amino-(4-bromophenyl)methylidene]azanium is NC(=[NH2+])c1ccc(Br)cc1.
What is the InChIKey of [amino-(4-bromophenyl)methylidene]azanium?
The InChIKey is JODFDXUBCBQKNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)/p+1.
What are the key properties of [amino-(4-bromophenyl)methylidene]azanium?
[amino-(4-bromophenyl)methylidene]azanium has a molecular weight of 200.06 g/mol, XLogP of -0.09, 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 is sourced from PubChem (CID 6346900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).