[5-(4-bromophenyl)furan-2-yl]methanimine

C11H8BrNO — CID 619576

IUPAC[5-(4-bromophenyl)furan-2-yl]methanimine
SMILES[H]/N=C/c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H8BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7,13H/b13-7+
InChIKeyBNHSNKBIOBWLGM-NTUHNPAUSA-N
MW250.10 g/mol
LogP3.71
Rot. Bonds2

About [5-(4-bromophenyl)furan-2-yl]methanimine

[5-(4-bromophenyl)furan-2-yl]methanimine (PubChem CID 619576) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is [5-(4-bromophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound Name[5-(4-bromophenyl)furan-2-yl]methanimine
PubChem CID619576
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name[5-(4-bromophenyl)furan-2-yl]methanimine
SMILES[H]/N=C/c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H8BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7,13H/b13-7+
InChIKeyBNHSNKBIOBWLGM-NTUHNPAUSA-N
XLogP3.71
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)furan-2-yl]methanimine?
The IUPAC name of [5-(4-bromophenyl)furan-2-yl]methanimine (CID 619576) is [5-(4-bromophenyl)furan-2-yl]methanimine.
What is the SMILES notation for [5-(4-bromophenyl)furan-2-yl]methanimine?
The canonical SMILES for [5-(4-bromophenyl)furan-2-yl]methanimine is [H]/N=C/c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of [5-(4-bromophenyl)furan-2-yl]methanimine?
The InChIKey is BNHSNKBIOBWLGM-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7,13H/b13-7+.
What are the key properties of [5-(4-bromophenyl)furan-2-yl]methanimine?
[5-(4-bromophenyl)furan-2-yl]methanimine has a molecular weight of 250.10 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 619576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).