5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine

C20H18BrNO3 — CID 11486400

IUPAC5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine
SMILESCOc1ncc(Br)c(OC)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18BrNO3/c1-23-19-17(21)12-22-20(24-2)18(19)15-8-10-16(11-9-15)25-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyNYUXNAFTMVQXSF-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.11
Rot. Bonds6

About 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine

5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine (PubChem CID 11486400) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine.

Molecular Properties

Compound Name5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine
PubChem CID11486400
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine
SMILESCOc1ncc(Br)c(OC)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18BrNO3/c1-23-19-17(21)12-22-20(24-2)18(19)15-8-10-16(11-9-15)25-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyNYUXNAFTMVQXSF-UHFFFAOYSA-N
XLogP5.11
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
CID 52987753
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
2-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]quinazoline
CID 175767035
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
8-bromo-6-phenylmethoxyisoquinoline
CID 67402699
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine?
The IUPAC name of 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine (CID 11486400) is 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine.
What is the SMILES notation for 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine?
The canonical SMILES for 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine is COc1ncc(Br)c(OC)c1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine?
The InChIKey is NYUXNAFTMVQXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-23-19-17(21)12-22-20(24-2)18(19)15-8-10-16(11-9-15)25-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3.
What are the key properties of 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine?
5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine has a molecular weight of 400.27 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine is sourced from PubChem (CID 11486400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).