N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane

C14H14BrFN2 — CID 144535132

IUPACN-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane
SMILESCC.Fc1ccccc1/C=N/c1ccc(Br)cn1
InChIInChI=1S/C12H8BrFN2.C2H6/c13-10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)14;1-2/h1-8H;1-2H3/b15-7+;
InChIKeyUQLHPGGAMQBVGZ-HAZZGOGXSA-N
MW309.18 g/mol
LogP4.76
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane

N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane (PubChem CID 144535132) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane
PubChem CID144535132
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane
SMILESCC.Fc1ccccc1/C=N/c1ccc(Br)cn1
InChIInChI=1S/C12H8BrFN2.C2H6/c13-10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)14;1-2/h1-8H;1-2H3/b15-7+;
InChIKeyUQLHPGGAMQBVGZ-HAZZGOGXSA-N
XLogP4.76
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.76
H-Bond Donors ≤ 50
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 N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane (CID 144535132) is N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane is CC.Fc1ccccc1/C=N/c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane?
The InChIKey is UQLHPGGAMQBVGZ-HAZZGOGXSA-N. The full InChI is InChI=1S/C12H8BrFN2.C2H6/c13-10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)14;1-2/h1-8H;1-2H3/b15-7+;.
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane?
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane has a molecular weight of 309.18 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane is sourced from PubChem (CID 144535132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).