2-(3-bromo-5-nitrophenoxy)-6-chloropyridine

C11H6BrClN2O3 — CID 103588560

IUPAC2-(3-bromo-5-nitrophenoxy)-6-chloropyridine
SMILESO=[N+]([O-])c1cc(Br)cc(Oc2cccc(Cl)n2)c1
InChIInChI=1S/C11H6BrClN2O3/c12-7-4-8(15(16)17)6-9(5-7)18-11-3-1-2-10(13)14-11/h1-6H
InChIKeyDQWKUDAOBQEXAQ-UHFFFAOYSA-N
MW329.54 g/mol
LogP4.20
Rot. Bonds3

About 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine

2-(3-bromo-5-nitrophenoxy)-6-chloropyridine (PubChem CID 103588560) has the molecular formula C11H6BrClN2O3 and a molecular weight of 329.54 g/mol. Its IUPAC name is 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine.

Molecular Properties

Compound Name2-(3-bromo-5-nitrophenoxy)-6-chloropyridine
PubChem CID103588560
Molecular FormulaC11H6BrClN2O3
Molecular Weight329.54 g/mol
Exact Mass327.93
IUPAC Name2-(3-bromo-5-nitrophenoxy)-6-chloropyridine
SMILESO=[N+]([O-])c1cc(Br)cc(Oc2cccc(Cl)n2)c1
InChIInChI=1S/C11H6BrClN2O3/c12-7-4-8(15(16)17)6-9(5-7)18-11-3-1-2-10(13)14-11/h1-6H
InChIKeyDQWKUDAOBQEXAQ-UHFFFAOYSA-N
XLogP4.20
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 54.20
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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Related Compounds

4-(3-bromo-5-nitrophenoxy)-2-chloropyrimidine
CID 103588576
2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
1-(3-bromo-5-nitrophenoxy)-2,4-dichlorobenzene
CID 169336525
1-bromo-3-[3-(chloromethyl)phenoxy]-5-nitrobenzene
CID 103588938
(1S)-1-[2-(3-bromo-5-nitrophenoxy)-4-pyridinyl]ethanamine
CID 103588811
1-[3-(3-bromo-5-nitrophenoxy)phenyl]ethanamine
CID 103588795
2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
CID 63963412
3-bromo-2-(3-bromo-5-nitrophenoxy)-5-chloropyridine
CID 103589278
5-bromo-2-(3-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103589277
3-(3-bromo-5-nitrophenoxy)benzonitrile
CID 103588633
[6-(3-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103589022
2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine?
The IUPAC name of 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine (CID 103588560) is 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine.
What is the SMILES notation for 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine?
The canonical SMILES for 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine is O=[N+]([O-])c1cc(Br)cc(Oc2cccc(Cl)n2)c1.
What is the InChIKey of 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine?
The InChIKey is DQWKUDAOBQEXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2O3/c12-7-4-8(15(16)17)6-9(5-7)18-11-3-1-2-10(13)14-11/h1-6H.
What are the key properties of 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine?
2-(3-bromo-5-nitrophenoxy)-6-chloropyridine has a molecular weight of 329.54 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-nitrophenoxy)-6-chloropyridine is sourced from PubChem (CID 103588560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).