3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine

C25H20BrNO2 — CID 163203487

IUPAC3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C25H20BrNO2/c26-22-13-11-21(12-14-22)23-15-16-24(28-17-19-7-3-1-4-8-19)27-25(23)29-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyYSBCDIFVGVBJLC-UHFFFAOYSA-N
MW446.34 g/mol
LogP6.67
Rot. Bonds7

About 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine

3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine (PubChem CID 163203487) has the molecular formula C25H20BrNO2 and a molecular weight of 446.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
PubChem CID163203487
Molecular FormulaC25H20BrNO2
Molecular Weight446.34 g/mol
Exact Mass445.07
IUPAC Name3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1
InChIInChI=1S/C25H20BrNO2/c26-22-13-11-21(12-14-22)23-15-16-24(28-17-19-7-3-1-4-8-19)27-25(23)29-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyYSBCDIFVGVBJLC-UHFFFAOYSA-N
XLogP6.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.34
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
CID 175548926
3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
CID 167474815
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
CID 175543369
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
CID 171491745
6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine
CID 141482511
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine
CID 175796163
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline
CID 170129561
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
CID 168874664
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
CID 170979866

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine?
The IUPAC name of 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine (CID 163203487) is 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine.
What is the SMILES notation for 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine?
The canonical SMILES for 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine is Brc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine?
The InChIKey is YSBCDIFVGVBJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO2/c26-22-13-11-21(12-14-22)23-15-16-24(28-17-19-7-3-1-4-8-19)27-25(23)29-18-20-9-5-2-6-10-20/h1-16H,17-18H2.
What are the key properties of 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine?
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine has a molecular weight of 446.34 g/mol, XLogP of 6.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine is sourced from PubChem (CID 163203487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).