2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine

C25H20Br2N2O2 — CID 21270312

IUPAC2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine
SMILESCC(C)c1ccc(Oc2cc(Br)ccn2)cc1-c1ccc(Oc2ccnc(Br)c2)cc1
InChIInChI=1S/C25H20Br2N2O2/c1-16(2)22-8-7-20(31-25-13-18(26)9-11-29-25)14-23(22)17-3-5-19(6-4-17)30-21-10-12-28-24(27)15-21/h3-16H,1-2H3
InChIKeyPQHZPJSWCPRMGC-UHFFFAOYSA-N
MW540.26 g/mol
LogP8.38
Rot. Bonds6

About 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine

2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine (PubChem CID 21270312) has the molecular formula C25H20Br2N2O2 and a molecular weight of 540.26 g/mol. Its IUPAC name is 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine.

Molecular Properties

Compound Name2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine
PubChem CID21270312
Molecular FormulaC25H20Br2N2O2
Molecular Weight540.26 g/mol
Exact Mass537.99
IUPAC Name2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine
SMILESCC(C)c1ccc(Oc2cc(Br)ccn2)cc1-c1ccc(Oc2ccnc(Br)c2)cc1
InChIInChI=1S/C25H20Br2N2O2/c1-16(2)22-8-7-20(31-25-13-18(26)9-11-29-25)14-23(22)17-3-5-19(6-4-17)30-21-10-12-28-24(27)15-21/h3-16H,1-2H3
InChIKeyPQHZPJSWCPRMGC-UHFFFAOYSA-N
XLogP8.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.26
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine?
The IUPAC name of 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine (CID 21270312) is 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine.
What is the SMILES notation for 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine?
The canonical SMILES for 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine is CC(C)c1ccc(Oc2cc(Br)ccn2)cc1-c1ccc(Oc2ccnc(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine?
The InChIKey is PQHZPJSWCPRMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Br2N2O2/c1-16(2)22-8-7-20(31-25-13-18(26)9-11-29-25)14-23(22)17-3-5-19(6-4-17)30-21-10-12-28-24(27)15-21/h3-16H,1-2H3.
What are the key properties of 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine?
2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine has a molecular weight of 540.26 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[4-[5-[(4-bromo-2-pyridinyl)oxy]-2-propan-2-ylphenyl]phenoxy]pyridine is sourced from PubChem (CID 21270312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).