5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine

C28H26Br2N2O4 — CID 15879856

IUPAC5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine
SMILESCOCOCc1cc(Br)cc(-c2ccc(-c3ccc(-c4cc(Br)cc(COCOC)c4)cn3)nc2)c1
InChIInChI=1S/C28H26Br2N2O4/c1-33-17-35-15-19-7-23(11-25(29)9-19)21-3-5-27(31-13-21)28-6-4-22(14-32-28)24-8-20(10-26(30)12-24)16-36-18-34-2/h3-14H,15-18H2,1-2H3
InChIKeyYRSSEJLQRCIGHN-UHFFFAOYSA-N
MW614.33 g/mol
LogP7.24
Rot. Bonds11

About 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine

5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine (PubChem CID 15879856) has the molecular formula C28H26Br2N2O4 and a molecular weight of 614.33 g/mol. Its IUPAC name is 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine
PubChem CID15879856
Molecular FormulaC28H26Br2N2O4
Molecular Weight614.33 g/mol
Exact Mass612.03
IUPAC Name5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine
SMILESCOCOCc1cc(Br)cc(-c2ccc(-c3ccc(-c4cc(Br)cc(COCOC)c4)cn3)nc2)c1
InChIInChI=1S/C28H26Br2N2O4/c1-33-17-35-15-19-7-23(11-25(29)9-19)21-3-5-27(31-13-21)28-6-4-22(14-32-28)24-8-20(10-26(30)12-24)16-36-18-34-2/h3-14H,15-18H2,1-2H3
InChIKeyYRSSEJLQRCIGHN-UHFFFAOYSA-N
XLogP7.24
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.33
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine (CID 15879856) is 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine is COCOCc1cc(Br)cc(-c2ccc(-c3ccc(-c4cc(Br)cc(COCOC)c4)cn3)nc2)c1.
What is the InChIKey of 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine?
The InChIKey is YRSSEJLQRCIGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Br2N2O4/c1-33-17-35-15-19-7-23(11-25(29)9-19)21-3-5-27(31-13-21)28-6-4-22(14-32-28)24-8-20(10-26(30)12-24)16-36-18-34-2/h3-14H,15-18H2,1-2H3.
What are the key properties of 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine?
5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine has a molecular weight of 614.33 g/mol, XLogP of 7.24, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-[5-[3-bromo-5-(methoxymethoxymethyl)phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 15879856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).