2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine

C11H5Br2ClN2O3 — CID 63587249

IUPAC2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)c(Oc2cccc(Cl)n2)c(Br)c1
InChIInChI=1S/C11H5Br2ClN2O3/c12-7-4-6(16(17)18)5-8(13)11(7)19-10-3-1-2-9(14)15-10/h1-5H
InChIKeyYQDDPAGHYQETNT-UHFFFAOYSA-N
MW408.43 g/mol
LogP4.96
Rot. Bonds3

About 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine

2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine (PubChem CID 63587249) has the molecular formula C11H5Br2ClN2O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
PubChem CID63587249
Molecular FormulaC11H5Br2ClN2O3
Molecular Weight408.43 g/mol
Exact Mass405.84
IUPAC Name2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)c(Oc2cccc(Cl)n2)c(Br)c1
InChIInChI=1S/C11H5Br2ClN2O3/c12-7-4-6(16(17)18)5-8(13)11(7)19-10-3-1-2-9(14)15-10/h1-5H
InChIKeyYQDDPAGHYQETNT-UHFFFAOYSA-N
XLogP4.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine?
The IUPAC name of 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine (CID 63587249) is 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine.
What is the SMILES notation for 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine?
The canonical SMILES for 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine is O=[N+]([O-])c1cc(Br)c(Oc2cccc(Cl)n2)c(Br)c1.
What is the InChIKey of 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine?
The InChIKey is YQDDPAGHYQETNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2ClN2O3/c12-7-4-6(16(17)18)5-8(13)11(7)19-10-3-1-2-9(14)15-10/h1-5H.
What are the key properties of 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine?
2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine has a molecular weight of 408.43 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine is sourced from PubChem (CID 63587249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).