N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine

C11H8BrClN2 — CID 789018

IUPACN-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILESClc1cc(/N=C/c2ccc[nH]2)ccc1Br
InChIInChI=1S/C11H8BrClN2/c12-10-4-3-8(6-11(10)13)15-7-9-2-1-5-14-9/h1-7,14H/b15-7+
InChIKeyIDHKXEAIHILMLG-VIZOYTHASA-N
MW283.56 g/mol
LogP4.18
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine

N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine (PubChem CID 789018) has the molecular formula C11H8BrClN2 and a molecular weight of 283.56 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine
PubChem CID789018
Molecular FormulaC11H8BrClN2
Molecular Weight283.56 g/mol
Exact Mass281.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILESClc1cc(/N=C/c2ccc[nH]2)ccc1Br
InChIInChI=1S/C11H8BrClN2/c12-10-4-3-8(6-11(10)13)15-7-9-2-1-5-14-9/h1-7,14H/b15-7+
InChIKeyIDHKXEAIHILMLG-VIZOYTHASA-N
XLogP4.18
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine (CID 789018) is N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine is Clc1cc(/N=C/c2ccc[nH]2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine?
The InChIKey is IDHKXEAIHILMLG-VIZOYTHASA-N. The full InChI is InChI=1S/C11H8BrClN2/c12-10-4-3-8(6-11(10)13)15-7-9-2-1-5-14-9/h1-7,14H/b15-7+.
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine?
N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine has a molecular weight of 283.56 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-(1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 789018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).