2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol

C48H41BrN4O2 — CID 157087739

About 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol

2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol (PubChem CID 157087739) has the molecular formula C48H41BrN4O2 and a molecular weight of 785.79 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol
• PubChem CID: 157087739
• Molecular Formula: C48H41BrN4O2
• Molecular Weight: 785.79 g/mol
• Exact Mass: 784.24
• IUPAC Name: 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol
• SMILES: Cc1ccc(O)cc1-c1ccccn1.Cc1ccnc(-c2cccc(Br)c2)c1.Cc1ccnc(-c2cccc(Oc3ccc(C)c(-c4ccccn4)c3)c2)c1
• InChI: InChI=1S/C24H20N2O.C12H10BrN.C12H11NO/c1-17-11-13-26-24(14-17)19-6-5-7-20(15-19)27-21-10-9-18(2)22(16-21)23-8-3-4-12-25-23;1-9-5-6-14-12(7-9)10-3-2-4-11(13)8-10;1-9-5-6-10(14)8-11(9)12-4-2-3-7-13-12/h3-16H,1-2H3;2-8H,1H3;2-8,14H,1H3
• InChIKey: AEHBYMBKJGXBQN-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 81.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.79
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol?

The IUPAC name of 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol (CID 157087739) is 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol.

What is the SMILES notation for 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol?

The canonical SMILES for 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol is Cc1ccc(O)cc1-c1ccccn1.Cc1ccnc(-c2cccc(Br)c2)c1.Cc1ccnc(-c2cccc(Oc3ccc(C)c(-c4ccccn4)c3)c2)c1.

What is the InChIKey of 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol?

The InChIKey is AEHBYMBKJGXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O.C12H10BrN.C12H11NO/c1-17-11-13-26-24(14-17)19-6-5-7-20(15-19)27-21-10-9-18(2)22(16-21)23-8-3-4-12-25-23;1-9-5-6-14-12(7-9)10-3-2-4-11(13)8-10;1-9-5-6-10(14)8-11(9)12-4-2-3-7-13-12/h3-16H,1-2H3;2-8H,1H3;2-8,14H,1H3.

What are the key properties of 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol?

2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol has a molecular weight of 785.79 g/mol, XLogP of 12.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(4-methyl-3-pyridin-2-ylphenoxy)phenyl]pyridine;4-methyl-3-pyridin-2-ylphenol is sourced from PubChem (CID 157087739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).