3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine

C12H9BrClNO2 — CID 70686996

IUPAC3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine
SMILESCOc1ccc(Oc2nc(Cl)ccc2Br)cc1
InChIInChI=1S/C12H9BrClNO2/c1-16-8-2-4-9(5-3-8)17-12-10(13)6-7-11(14)15-12/h2-7H,1H3
InChIKeyCLDULHZUACABKB-UHFFFAOYSA-N
MW314.57 g/mol
LogP4.30
Rot. Bonds3

About 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine

3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine (PubChem CID 70686996) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine
PubChem CID70686996
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine
SMILESCOc1ccc(Oc2nc(Cl)ccc2Br)cc1
InChIInChI=1S/C12H9BrClNO2/c1-16-8-2-4-9(5-3-8)17-12-10(13)6-7-11(14)15-12/h2-7H,1H3
InChIKeyCLDULHZUACABKB-UHFFFAOYSA-N
XLogP4.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine?
The IUPAC name of 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine (CID 70686996) is 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine.
What is the SMILES notation for 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine?
The canonical SMILES for 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine is COc1ccc(Oc2nc(Cl)ccc2Br)cc1.
What is the InChIKey of 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine?
The InChIKey is CLDULHZUACABKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c1-16-8-2-4-9(5-3-8)17-12-10(13)6-7-11(14)15-12/h2-7H,1H3.
What are the key properties of 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine?
3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine has a molecular weight of 314.57 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-2-(4-methoxyphenoxy)pyridine is sourced from PubChem (CID 70686996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).