4-(4-benzylphenoxy)-3-bromopyridine

C18H14BrNO — CID 104778913

IUPAC4-(4-benzylphenoxy)-3-bromopyridine
SMILESBrc1cnccc1Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H14BrNO/c19-17-13-20-11-10-18(17)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyNIYNBDXXVPPMOE-UHFFFAOYSA-N
MW340.22 g/mol
LogP5.23
Rot. Bonds4

About 4-(4-benzylphenoxy)-3-bromopyridine

4-(4-benzylphenoxy)-3-bromopyridine (PubChem CID 104778913) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-(4-benzylphenoxy)-3-bromopyridine.

Molecular Properties

Compound Name4-(4-benzylphenoxy)-3-bromopyridine
PubChem CID104778913
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name4-(4-benzylphenoxy)-3-bromopyridine
SMILESBrc1cnccc1Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H14BrNO/c19-17-13-20-11-10-18(17)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyNIYNBDXXVPPMOE-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.22
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
6-Bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514898
2H-Pyrano(2,3-b)pyridine, 6-bromo-2-phenyl-
CID 514908
N-(5-bromo-2-ethoxybenzyl)-N-(3-pyridinylmethyl)amine
CID 834314
5-(4-Bromophenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
CID 9824856
4-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-pyridine
CID 10636646
4-(4-Butoxy-phenyl)-pyridine
CID 11322127
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
3-(4-Butoxy-phenyl)-pyridine
CID 11817019
3-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973810
4-[[2-(2-Phenylethyl)phenoxy]methyl]pyridine
CID 24808152
4-[2-(4-Benzylphenoxy)ethyl]pyridine
CID 44818625

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenoxy)-3-bromopyridine?
The IUPAC name of 4-(4-benzylphenoxy)-3-bromopyridine (CID 104778913) is 4-(4-benzylphenoxy)-3-bromopyridine.
What is the SMILES notation for 4-(4-benzylphenoxy)-3-bromopyridine?
The canonical SMILES for 4-(4-benzylphenoxy)-3-bromopyridine is Brc1cnccc1Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-benzylphenoxy)-3-bromopyridine?
The InChIKey is NIYNBDXXVPPMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c19-17-13-20-11-10-18(17)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2.
What are the key properties of 4-(4-benzylphenoxy)-3-bromopyridine?
4-(4-benzylphenoxy)-3-bromopyridine has a molecular weight of 340.22 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenoxy)-3-bromopyridine is sourced from PubChem (CID 104778913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).