2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol

C48H41BrN4O2 — CID 157334802

IUPAC2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol
SMILESCc1cc(O)cc(-c2ccccn2)c1.Cc1cc(Oc2cccc(-c3cc(C)ccn3)c2)cc(-c2ccccn2)c1.Cc1ccnc(-c2cccc(Br)c2)c1
InChIInChI=1S/C24H20N2O.C12H10BrN.C12H11NO/c1-17-9-11-26-24(14-17)19-6-5-7-21(15-19)27-22-13-18(2)12-20(16-22)23-8-3-4-10-25-23;1-9-5-6-14-12(7-9)10-3-2-4-11(13)8-10;1-9-6-10(8-11(14)7-9)12-4-2-3-5-13-12/h3-16H,1-2H3;2-8H,1H3;2-8,14H,1H3
InChIKeyBFSGFXWERRQOTK-UHFFFAOYSA-N
MW785.79 g/mol
LogP12.80
Rot. Bonds6

About 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol

2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol (PubChem CID 157334802) 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-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol
PubChem CID157334802
Molecular FormulaC48H41BrN4O2
Molecular Weight785.79 g/mol
Exact Mass784.24
IUPAC Name2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol
SMILESCc1cc(O)cc(-c2ccccn2)c1.Cc1cc(Oc2cccc(-c3cc(C)ccn3)c2)cc(-c2ccccn2)c1.Cc1ccnc(-c2cccc(Br)c2)c1
InChIInChI=1S/C24H20N2O.C12H10BrN.C12H11NO/c1-17-9-11-26-24(14-17)19-6-5-7-21(15-19)27-22-13-18(2)12-20(16-22)23-8-3-4-10-25-23;1-9-5-6-14-12(7-9)10-3-2-4-11(13)8-10;1-9-6-10(8-11(14)7-9)12-4-2-3-5-13-12/h3-16H,1-2H3;2-8H,1H3;2-8,14H,1H3
InChIKeyBFSGFXWERRQOTK-UHFFFAOYSA-N
XLogP12.80
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.79
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol 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

4-[3-(2,6-Dipyridin-2-yl-4-pyridinyl)-5-phenylmethoxyphenyl]-2,6-dipyridin-2-ylpyridine
CID 85967898
4-(5-Bromo-2,7-ditert-butyl-9,9-dimethylxanthen-4-yl)-2,6-dipyridin-2-ylpyridine
CID 102315201
11,23-Dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
CID 134864370
4'-(3'-bromo-5'-(hexyloxy)-[1,1'-biphenyl]-4-yl)-2,2':6',2''-terpyridine-bis-4',4''''-(5'-(hexyloxy)-[1,1':3',1''-terphenyl]-4,4''-diyl)di-2,2':6',2''-terpyridine-Ru(II) Complex
CID 145926245
4'-(3'-Bromo-5'-(hexyloxy)-[1,1'-biphenyl]-4-yl)-2,2':6',2''-terpyridine
CID 145926247
4',4''''-(5'-(Hexyloxy)-[1,1':3',1''-terphenyl]-4,4''-diyl)di-2,2':6',2''-terpyridine
CID 145926248
4'-(3'-bromo-5'-(hexyloxy)-[1,1'-biphenyl]-4-yl)-2,2':6',2''-terpyridine-bis-4',4''''-(5'-(hexyloxy)-[1,1':3',1''-terphenyl]-4,4''-diyl)di-2,2':6',2''-terpyridine-Ru(II/III) complex
CID 145926249
4'-(3'-bromo-5'-(hexyloxy)-[1,1'-biphenyl]-4-yl)-2,2':6',2''-terpyridin-Ru(III)
CID 145926250
Iridium(3+);tris(2-(3-methoxyphenyl)pyridine)
CID 22939722
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]pyridine
CID 57968009
3-[3-[3-[3-[3-[[3-[[3-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]phenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 57968016
3,5-Bis[3-[[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-pyridinyl]oxy]phenyl]pyridine
CID 57968018

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol?
The IUPAC name of 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol (CID 157334802) is 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol.
What is the SMILES notation for 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol?
The canonical SMILES for 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol is Cc1cc(O)cc(-c2ccccn2)c1.Cc1cc(Oc2cccc(-c3cc(C)ccn3)c2)cc(-c2ccccn2)c1.Cc1ccnc(-c2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol?
The InChIKey is BFSGFXWERRQOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O.C12H10BrN.C12H11NO/c1-17-9-11-26-24(14-17)19-6-5-7-21(15-19)27-22-13-18(2)12-20(16-22)23-8-3-4-10-25-23;1-9-5-6-14-12(7-9)10-3-2-4-11(13)8-10;1-9-6-10(8-11(14)7-9)12-4-2-3-5-13-12/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-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol?
2-(3-bromophenyl)-4-methylpyridine;4-methyl-2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-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-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine;3-methyl-5-pyridin-2-ylphenol is sourced from PubChem (CID 157334802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).