6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine

C25H20BrNO — CID 141482511

IUPAC6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine
SMILESCc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1OCc1ccccc1
InChIInChI=1S/C25H20BrNO/c1-18-23(20-10-6-3-7-11-20)16-24(21-12-14-22(26)15-13-21)27-25(18)28-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChIKeyINHIVBPBULMBDN-UHFFFAOYSA-N
MW430.35 g/mol
LogP7.07
Rot. Bonds5

About 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine

6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine (PubChem CID 141482511) has the molecular formula C25H20BrNO and a molecular weight of 430.35 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine
PubChem CID141482511
Molecular FormulaC25H20BrNO
Molecular Weight430.35 g/mol
Exact Mass429.07
IUPAC Name6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine
SMILESCc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1OCc1ccccc1
InChIInChI=1S/C25H20BrNO/c1-18-23(20-10-6-3-7-11-20)16-24(21-12-14-22(26)15-13-21)27-25(18)28-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3
InChIKeyINHIVBPBULMBDN-UHFFFAOYSA-N
XLogP7.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.35
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine?
The IUPAC name of 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine (CID 141482511) is 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine.
What is the SMILES notation for 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine?
The canonical SMILES for 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine is Cc1c(-c2ccccc2)cc(-c2ccc(Br)cc2)nc1OCc1ccccc1.
What is the InChIKey of 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine?
The InChIKey is INHIVBPBULMBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO/c1-18-23(20-10-6-3-7-11-20)16-24(21-12-14-22(26)15-13-21)27-25(18)28-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3.
What are the key properties of 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine?
6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine has a molecular weight of 430.35 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine is sourced from PubChem (CID 141482511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).