(E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine

C18H13BrN2O — CID 134845573

IUPAC(E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine
SMILESBrc1ccc(O/N=C(\c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C18H13BrN2O/c19-15-9-11-16(12-10-15)22-21-18(14-6-2-1-3-7-14)17-8-4-5-13-20-17/h1-13H/b21-18+
InChIKeyKOYMAQLAFXRMTH-DYTRJAOYSA-N
MW353.22 g/mol
LogP4.68
Rot. Bonds4

About (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine

(E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine (PubChem CID 134845573) has the molecular formula C18H13BrN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine
PubChem CID134845573
Molecular FormulaC18H13BrN2O
Molecular Weight353.22 g/mol
Exact Mass352.02
IUPAC Name(E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine
SMILESBrc1ccc(O/N=C(\c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C18H13BrN2O/c19-15-9-11-16(12-10-15)22-21-18(14-6-2-1-3-7-14)17-8-4-5-13-20-17/h1-13H/b21-18+
InChIKeyKOYMAQLAFXRMTH-DYTRJAOYSA-N
XLogP4.68
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2-(5-butyl-pyridin-2-yl)-phenol
CID 1858892
4-Bromo-2-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 5008754
1-(2-pyridinyl)-1-ethanone O-(4-bromobenzyl)oxime
CID 5903888
2-[(E)-2-(5-bromo-2-hydroxyphenyl)vinyl]-1-methylpyridinium
CID 24761569
4-Bromo-2-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
CID 54581977
4-[1-(4-Hydroxyphenyl)-2-pyridin-2-ylethenyl]phenol
CID 136076481
4-Bromo-6-({[2-(pyridin-2-yl)ethyl]amino}methylidene)cyclohexa-2,4-dien-1-one
CID 136234177
2-[(4-Bromophenyl)-pyridin-2-ylmethyl]phenol
CID 162650879
4-[(4-Bromophenyl)-pyridin-2-ylmethyl]phenol
CID 162661639
3-[(4-Bromophenyl)imino]-4,4,4-trifluoro-1-oxo-1-phenyl2-(pyridinium-1-yl)butan-2-ide
CID 137797490
4-Bromo-2-[(4-pyridinylimino)methyl]phenol
CID 872793
4-Bromo-2-{[(pyridin-3-ylmethyl)imino]methyl}phenol
CID 2731272

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine?
The IUPAC name of (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine (CID 134845573) is (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine.
What is the SMILES notation for (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine?
The canonical SMILES for (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine is Brc1ccc(O/N=C(\c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine?
The InChIKey is KOYMAQLAFXRMTH-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O/c19-15-9-11-16(12-10-15)22-21-18(14-6-2-1-3-7-14)17-8-4-5-13-20-17/h1-13H/b21-18+.
What are the key properties of (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine?
(E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine has a molecular weight of 353.22 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromophenoxy)-1-phenyl-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 134845573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).