4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine

C22H15BrN2O — CID 165377429

IUPAC4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine
SMILESBrc1cc(Oc2ccnc(-c3ccccn3)c2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H15BrN2O/c23-18-12-17(16-6-2-1-3-7-16)13-20(14-18)26-19-9-11-25-22(15-19)21-8-4-5-10-24-21/h1-15H
InChIKeyKDOTZDKPZWXYIM-UHFFFAOYSA-N
MW403.28 g/mol
LogP6.37
Rot. Bonds4

About 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine

4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine (PubChem CID 165377429) has the molecular formula C22H15BrN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine
PubChem CID165377429
Molecular FormulaC22H15BrN2O
Molecular Weight403.28 g/mol
Exact Mass402.04
IUPAC Name4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine
SMILESBrc1cc(Oc2ccnc(-c3ccccn3)c2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H15BrN2O/c23-18-12-17(16-6-2-1-3-7-16)13-20(14-18)26-19-9-11-25-22(15-19)21-8-4-5-10-24-21/h1-15H
InChIKeyKDOTZDKPZWXYIM-UHFFFAOYSA-N
XLogP6.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
3-deuterio-4-phenyl-2-pyridin-2-ylpyridine
CID 175718581
5-[(2-pyridin-2-yl-4-pyridinyl)oxy]pyridin-2-amine
CID 166780670
(2-pyridin-2-yl-4-pyridinyl) 4-phenylbenzoate
CID 123135219
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-pyridin-2-yl-4-[4-[4-(2-pyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyridine
CID 10389614
2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
4-(4-bromophenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyridine
CID 130238337
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
1,3-dibromo-5-phenylbenzene
CID 3014933
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine?
The IUPAC name of 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine (CID 165377429) is 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine?
The canonical SMILES for 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine is Brc1cc(Oc2ccnc(-c3ccccn3)c2)cc(-c2ccccc2)c1.
What is the InChIKey of 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine?
The InChIKey is KDOTZDKPZWXYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O/c23-18-12-17(16-6-2-1-3-7-16)13-20(14-18)26-19-9-11-25-22(15-19)21-8-4-5-10-24-21/h1-15H.
What are the key properties of 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine?
4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine has a molecular weight of 403.28 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-phenylphenoxy)-2-pyridin-2-ylpyridine is sourced from PubChem (CID 165377429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).