2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine

C11H8BrN3O3 — CID 66279586

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
SMILESCc1cnc(Oc2cncc(Br)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8BrN3O3/c1-7-2-10(15(16)17)11(14-4-7)18-9-3-8(12)5-13-6-9/h2-6H,1H3
InChIKeyLPOQKEHCVARTPP-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.25
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine

2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine (PubChem CID 66279586) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
PubChem CID66279586
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
SMILESCc1cnc(Oc2cncc(Br)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8BrN3O3/c1-7-2-10(15(16)17)11(14-4-7)18-9-3-8(12)5-13-6-9/h2-6H,1H3
InChIKeyLPOQKEHCVARTPP-UHFFFAOYSA-N
XLogP3.25
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
CID 61374175
5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
CID 100731820
3-bromo-5-(4-methoxy-3-nitrophenoxy)pyridine
CID 103201647
5-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
CID 61229997
methyl 6-[(5-bromo-3-pyridinyl)oxy]-5-nitropyridine-2-carboxylate
CID 114403292
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine (CID 66279586) is 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine is Cc1cnc(Oc2cncc(Br)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine?
The InChIKey is LPOQKEHCVARTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c1-7-2-10(15(16)17)11(14-4-7)18-9-3-8(12)5-13-6-9/h2-6H,1H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine?
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine has a molecular weight of 310.11 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine is sourced from PubChem (CID 66279586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).