5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine

C19H16BrNO2 — CID 135022343

IUPAC5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine
SMILESCOc1ccc(-c2cc(Br)cnc2OCc2ccccc2)cc1
InChIInChI=1S/C19H16BrNO2/c1-22-17-9-7-15(8-10-17)18-11-16(20)12-21-19(18)23-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyXTXCZKMUMIMEBS-UHFFFAOYSA-N
MW370.25 g/mol
LogP5.10
Rot. Bonds5

About 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine

5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine (PubChem CID 135022343) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine.

Molecular Properties

Compound Name5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine
PubChem CID135022343
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine
SMILESCOc1ccc(-c2cc(Br)cnc2OCc2ccccc2)cc1
InChIInChI=1S/C19H16BrNO2/c1-22-17-9-7-15(8-10-17)18-11-16(20)12-21-19(18)23-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyXTXCZKMUMIMEBS-UHFFFAOYSA-N
XLogP5.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.25
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine?
The IUPAC name of 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine (CID 135022343) is 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine.
What is the SMILES notation for 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine?
The canonical SMILES for 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine is COc1ccc(-c2cc(Br)cnc2OCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine?
The InChIKey is XTXCZKMUMIMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-22-17-9-7-15(8-10-17)18-11-16(20)12-21-19(18)23-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine?
5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine has a molecular weight of 370.25 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methoxyphenyl)-2-phenylmethoxypyridine is sourced from PubChem (CID 135022343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).