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

C46H37BrN4O2 — CID 158000404

IUPAC2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine
SMILESBrc1cccc(-c2ccccn2)c1.Cc1ccc(O)cc1-c1ccccn1.Cc1ccc(Oc2cccc(-c3ccccn3)c2)cc1-c1ccccn1
InChIInChI=1S/C23H18N2O.C12H11NO.C11H8BrN/c1-17-11-12-20(16-21(17)23-10-3-5-14-25-23)26-19-8-6-7-18(15-19)22-9-2-4-13-24-22;1-9-5-6-10(14)8-11(9)12-4-2-3-7-13-12;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h2-16H,1H3;2-8,14H,1H3;1-8H
InChIKeyFDQXMMNCFWKWCS-UHFFFAOYSA-N
MW757.73 g/mol
LogP12.19
Rot. Bonds6

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

2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine (PubChem CID 158000404) has the molecular formula C46H37BrN4O2 and a molecular weight of 757.73 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine
PubChem CID158000404
Molecular FormulaC46H37BrN4O2
Molecular Weight757.73 g/mol
Exact Mass756.21
IUPAC Name2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine
SMILESBrc1cccc(-c2ccccn2)c1.Cc1ccc(O)cc1-c1ccccn1.Cc1ccc(Oc2cccc(-c3ccccn3)c2)cc1-c1ccccn1
InChIInChI=1S/C23H18N2O.C12H11NO.C11H8BrN/c1-17-11-12-20(16-21(17)23-10-3-5-14-25-23)26-19-8-6-7-18(15-19)22-9-2-4-13-24-22;1-9-5-6-10(14)8-11(9)12-4-2-3-7-13-12;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h2-16H,1H3;2-8,14H,1H3;1-8H
InChIKeyFDQXMMNCFWKWCS-UHFFFAOYSA-N
XLogP12.19
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.73
LogP ≤ 512.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine 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-[4-Bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol
CID 155908910
2-(4-bromo-2-methylphenyl)-1-methylpyrrole;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium;bis(2-methyl-1-(2-methylphenyl)isoquinolin-2-ium);2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-7-ol;2-methyl-1-(2-methylphenyl)naphthalene;2-methyl-1-(2-methylphenyl)-7-nonoxyisoquinolin-2-ium;2-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]-7-nonoxyisoquinolin-2-ium;N,N,2-trimethyl-1-(2-methylphenyl)isoquinolin-2-ium-7-amine
CID 159053885
4'-(4-Butoxyphenyl)-4,2';6',4''-terpyridine
CID 139195352
4-(4-(Benzyloxy)phenyl)-6-(4-bromophenyl)-2,2'-bipyridine
CID 139238576
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'-(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
2-(Pyridin-2-ylmethyl)-6-[1-[2-[[6-(pyridin-2-ylmethyl)-2-pyridinyl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxypyridine
CID 11169536
[5-[4-[2-[4-[4-Ethyl-3-[hydroxy(dipyridin-2-yl)methyl]phenoxy]phenyl]propan-2-yl]phenoxy]-2-methylphenyl]-dipyridin-2-ylmethanol
CID 58825175
3-[(E)-2-(4-methylphenyl)ethenyl]-7-[3-[(E)-2-(4-methylphenyl)ethenyl]isoquinolin-7-yl]oxyisoquinoline
CID 59156077
1-Phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 59839185

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine?
The IUPAC name of 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine (CID 158000404) is 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine?
The canonical SMILES for 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine is Brc1cccc(-c2ccccn2)c1.Cc1ccc(O)cc1-c1ccccn1.Cc1ccc(Oc2cccc(-c3ccccn3)c2)cc1-c1ccccn1.
What is the InChIKey of 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine?
The InChIKey is FDQXMMNCFWKWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O.C12H11NO.C11H8BrN/c1-17-11-12-20(16-21(17)23-10-3-5-14-25-23)26-19-8-6-7-18(15-19)22-9-2-4-13-24-22;1-9-5-6-10(14)8-11(9)12-4-2-3-7-13-12;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h2-16H,1H3;2-8,14H,1H3;1-8H.
What are the key properties of 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine?
2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine has a molecular weight of 757.73 g/mol, XLogP of 12.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)pyridine;4-methyl-3-pyridin-2-ylphenol;2-[2-methyl-5-(3-pyridin-2-ylphenoxy)phenyl]pyridine is sourced from PubChem (CID 158000404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).