1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine

C15H15BrN2O — CID 76608187

IUPAC1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine
SMILESCCON=C(c1ccc(C)cc1)c1cccc(Br)n1
InChIInChI=1S/C15H15BrN2O/c1-3-19-18-15(12-9-7-11(2)8-10-12)13-5-4-6-14(16)17-13/h4-10H,3H2,1-2H3
InChIKeyPVQHXOZFNRPHJP-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.94
Rot. Bonds4

About 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine

1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine (PubChem CID 76608187) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine
PubChem CID76608187
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine
SMILESCCON=C(c1ccc(C)cc1)c1cccc(Br)n1
InChIInChI=1S/C15H15BrN2O/c1-3-19-18-15(12-9-7-11(2)8-10-12)13-5-4-6-14(16)17-13/h4-10H,3H2,1-2H3
InChIKeyPVQHXOZFNRPHJP-UHFFFAOYSA-N
XLogP3.94
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine (CID 76608187) is 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine is CCON=C(c1ccc(C)cc1)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine?
The InChIKey is PVQHXOZFNRPHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-3-19-18-15(12-9-7-11(2)8-10-12)13-5-4-6-14(16)17-13/h4-10H,3H2,1-2H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine?
1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine has a molecular weight of 319.20 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-N-ethoxy-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 76608187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).