N-(5-bromo-3-fluoro-2-methylphenyl)methanimine

C8H7BrFN — CID 139540042

IUPACN-(5-bromo-3-fluoro-2-methylphenyl)methanimine
SMILESC=Nc1cc(Br)cc(F)c1C
InChIInChI=1S/C8H7BrFN/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,2H2,1H3
InChIKeyOQKQYNUKGWEQRO-UHFFFAOYSA-N
MW216.05 g/mol
LogP3.23
Rot. Bonds1

About N-(5-bromo-3-fluoro-2-methylphenyl)methanimine

N-(5-bromo-3-fluoro-2-methylphenyl)methanimine (PubChem CID 139540042) has the molecular formula C8H7BrFN and a molecular weight of 216.05 g/mol. Its IUPAC name is N-(5-bromo-3-fluoro-2-methylphenyl)methanimine.

Molecular Properties

Compound NameN-(5-bromo-3-fluoro-2-methylphenyl)methanimine
PubChem CID139540042
Molecular FormulaC8H7BrFN
Molecular Weight216.05 g/mol
Exact Mass214.97
IUPAC NameN-(5-bromo-3-fluoro-2-methylphenyl)methanimine
SMILESC=Nc1cc(Br)cc(F)c1C
InChIInChI=1S/C8H7BrFN/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,2H2,1H3
InChIKeyOQKQYNUKGWEQRO-UHFFFAOYSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 53.23
H-Bond Donors ≤ 50
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-(5-bromo-3-fluoro-2-methylphenyl)methanimine?
The IUPAC name of N-(5-bromo-3-fluoro-2-methylphenyl)methanimine (CID 139540042) is N-(5-bromo-3-fluoro-2-methylphenyl)methanimine.
What is the SMILES notation for N-(5-bromo-3-fluoro-2-methylphenyl)methanimine?
The canonical SMILES for N-(5-bromo-3-fluoro-2-methylphenyl)methanimine is C=Nc1cc(Br)cc(F)c1C.
What is the InChIKey of N-(5-bromo-3-fluoro-2-methylphenyl)methanimine?
The InChIKey is OQKQYNUKGWEQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,2H2,1H3.
What are the key properties of N-(5-bromo-3-fluoro-2-methylphenyl)methanimine?
N-(5-bromo-3-fluoro-2-methylphenyl)methanimine has a molecular weight of 216.05 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-fluoro-2-methylphenyl)methanimine is sourced from PubChem (CID 139540042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).