2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine

C29H21BrN2O — CID 139238576

IUPAC2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine
SMILESBrc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C29H21BrN2O/c30-25-13-9-23(10-14-25)28-18-24(19-29(32-28)27-8-4-5-17-31-27)22-11-15-26(16-12-22)33-20-21-6-2-1-3-7-21/h1-19H,20H2
InChIKeyCHVYQMLYMXBDNI-UHFFFAOYSA-N
MW493.40 g/mol
LogP7.82
Rot. Bonds6

About 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine

2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine (PubChem CID 139238576) has the molecular formula C29H21BrN2O and a molecular weight of 493.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine
PubChem CID139238576
Molecular FormulaC29H21BrN2O
Molecular Weight493.40 g/mol
Exact Mass492.08
IUPAC Name2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine
SMILESBrc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C29H21BrN2O/c30-25-13-9-23(10-14-25)28-18-24(19-29(32-28)27-8-4-5-17-31-27)22-11-15-26(16-12-22)33-20-21-6-2-1-3-7-21/h1-19H,20H2
InChIKeyCHVYQMLYMXBDNI-UHFFFAOYSA-N
XLogP7.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.40
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-{[1-(4-Bromophenyl)isoquinolin-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine
CID 447553
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
5-(4-Bromophenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
CID 9824856
1-Phenethyl-2-[4-(3-piperidinylpropoxy)phenyl]-indolizine
CID 10114059
1-Phenyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 44215411
2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
4'-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 630929
2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine
CID 25198629
2-[(4-Cyclohexylphenoxy)methyl]pyridine
CID 44522548
6-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine;hydrochloride
CID 45261590

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine (CID 139238576) is 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine is Brc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine?
The InChIKey is CHVYQMLYMXBDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21BrN2O/c30-25-13-9-23(10-14-25)28-18-24(19-29(32-28)27-8-4-5-17-31-27)22-11-15-26(16-12-22)33-20-21-6-2-1-3-7-21/h1-19H,20H2.
What are the key properties of 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine?
2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine has a molecular weight of 493.40 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139238576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).