4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol

C11H7BrN2O4 — CID 61229997

IUPAC4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
SMILESO=[N+]([O-])c1cc(Br)cnc1Oc1ccc(O)cc1
InChIInChI=1S/C11H7BrN2O4/c12-7-5-10(14(16)17)11(13-6-7)18-9-3-1-8(15)2-4-9/h1-6,15H
InChIKeyDXHKXFITASGZCK-UHFFFAOYSA-N
MW311.09 g/mol
LogP3.25
Rot. Bonds3

About 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol

4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol (PubChem CID 61229997) has the molecular formula C11H7BrN2O4 and a molecular weight of 311.09 g/mol. Its IUPAC name is 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
PubChem CID61229997
Molecular FormulaC11H7BrN2O4
Molecular Weight311.09 g/mol
Exact Mass309.96
IUPAC Name4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol
SMILESO=[N+]([O-])c1cc(Br)cnc1Oc1ccc(O)cc1
InChIInChI=1S/C11H7BrN2O4/c12-7-5-10(14(16)17)11(13-6-7)18-9-3-1-8(15)2-4-9/h1-6,15H
InChIKeyDXHKXFITASGZCK-UHFFFAOYSA-N
XLogP3.25
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.09
LogP ≤ 53.25
H-Bond Donors ≤ 51
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-bromo-3-nitro-2-(4-nitrophenoxy)pyridine
CID 61372882
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-nitropyridine
CID 61374175
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
4-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol
CID 61227488
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-bromo-2-(4-bromo-2,5-dichlorophenoxy)-3-nitropyridine
CID 107660117
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2,2-difluoropropan-1-ol
CID 146211557
2-[(5-bromo-3-pyridinyl)oxy]-5-methyl-3-nitropyridine
CID 66279586

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol?
The IUPAC name of 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol (CID 61229997) is 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol.
What is the SMILES notation for 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol?
The canonical SMILES for 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol is O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(O)cc1.
What is the InChIKey of 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol?
The InChIKey is DXHKXFITASGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O4/c12-7-5-10(14(16)17)11(13-6-7)18-9-3-1-8(15)2-4-9/h1-6,15H.
What are the key properties of 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol?
4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol has a molecular weight of 311.09 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-nitro-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 61229997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).