3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine

C11H6BrClN2O3 — CID 104835429

IUPAC3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1c(Cl)cccc1Oc1cncc(Br)c1
InChIInChI=1S/C11H6BrClN2O3/c12-7-4-8(6-14-5-7)18-10-3-1-2-9(13)11(10)15(16)17/h1-6H
InChIKeyCQCBJUFIPMEANS-UHFFFAOYSA-N
MW329.54 g/mol
LogP4.20
Rot. Bonds3

About 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine

3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine (PubChem CID 104835429) has the molecular formula C11H6BrClN2O3 and a molecular weight of 329.54 g/mol. Its IUPAC name is 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine
PubChem CID104835429
Molecular FormulaC11H6BrClN2O3
Molecular Weight329.54 g/mol
Exact Mass327.93
IUPAC Name3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine
SMILESO=[N+]([O-])c1c(Cl)cccc1Oc1cncc(Br)c1
InChIInChI=1S/C11H6BrClN2O3/c12-7-4-8(6-14-5-7)18-10-3-1-2-9(13)11(10)15(16)17/h1-6H
InChIKeyCQCBJUFIPMEANS-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-2-nitrophenoxy)pyridine
CID 104835355
1-chloro-3-(3-fluoro-4-nitrophenoxy)-2-nitrobenzene
CID 104835402
6-(3-chloro-2-nitrophenoxy)-1,2,3,4-tetrahydronaphthalene
CID 104835398
3-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-nitroaniline
CID 80877347
1-chloro-3-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 104835375
3-[(5-bromo-3-pyridinyl)oxy]-4-nitrobenzoic acid
CID 82781366
1-(3-bromo-5-fluorophenoxy)-3-fluoro-2-nitrobenzene
CID 81331353
3-(3-chloro-2-nitrophenoxy)-2-methylpyridine
CID 104835444
3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
CID 103201647
5-chloro-2-(3-chloro-2-nitrophenoxy)benzoic acid
CID 104839490
1-(3-chloro-2-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 104835380
3-(3-bromophenoxy)-2-nitrobenzonitrile
CID 113444903

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine?
The IUPAC name of 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine (CID 104835429) is 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine.
What is the SMILES notation for 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine?
The canonical SMILES for 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine is O=[N+]([O-])c1c(Cl)cccc1Oc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine?
The InChIKey is CQCBJUFIPMEANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2O3/c12-7-4-8(6-14-5-7)18-10-3-1-2-9(13)11(10)15(16)17/h1-6H.
What are the key properties of 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine?
3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine 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 3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine is sourced from PubChem (CID 104835429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).