3-[(6-nitro-3-pyridinyl)oxy]phenol

C11H8N2O4 — CID 114997816

IUPAC3-[(6-nitro-3-pyridinyl)oxy]phenol
SMILESO=[N+]([O-])c1ccc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C11H8N2O4/c14-8-2-1-3-9(6-8)17-10-4-5-11(12-7-10)13(15)16/h1-7,14H
InChIKeyTYAAPWSLKYICNH-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.49
Rot. Bonds3

About 3-[(6-nitro-3-pyridinyl)oxy]phenol

3-[(6-nitro-3-pyridinyl)oxy]phenol (PubChem CID 114997816) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-[(6-nitro-3-pyridinyl)oxy]phenol.

Molecular Properties

Compound Name3-[(6-nitro-3-pyridinyl)oxy]phenol
PubChem CID114997816
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name3-[(6-nitro-3-pyridinyl)oxy]phenol
SMILESO=[N+]([O-])c1ccc(Oc2cccc(O)c2)cn1
InChIInChI=1S/C11H8N2O4/c14-8-2-1-3-9(6-8)17-10-4-5-11(12-7-10)13(15)16/h1-7,14H
InChIKeyTYAAPWSLKYICNH-UHFFFAOYSA-N
XLogP2.49
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.49
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

1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
CID 166064685
tert-butyl N-[[4-[3-[(6-nitro-3-pyridinyl)oxy]phenoxy]phenyl]methyl]carbamate
CID 141280470
5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
CID 145045044
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
5-(3-hydroxyphenoxy)-2-nitrobenzonitrile
CID 115500594
N-methyl-4-[(6-nitro-3-pyridinyl)oxy]benzamide
CID 59686993
methyl 5-(3-nitrophenoxy)pyridine-2-carboxylate
CID 58968821
3-(4-nitro-3-propoxyphenoxy)phenol
CID 63670518
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 160610381
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]phenol
CID 106750050
3-(4-nitro-3-propan-2-yloxyphenoxy)phenol
CID 83003295

Frequently Asked Questions

What is the IUPAC name of 3-[(6-nitro-3-pyridinyl)oxy]phenol?
The IUPAC name of 3-[(6-nitro-3-pyridinyl)oxy]phenol (CID 114997816) is 3-[(6-nitro-3-pyridinyl)oxy]phenol.
What is the SMILES notation for 3-[(6-nitro-3-pyridinyl)oxy]phenol?
The canonical SMILES for 3-[(6-nitro-3-pyridinyl)oxy]phenol is O=[N+]([O-])c1ccc(Oc2cccc(O)c2)cn1.
What is the InChIKey of 3-[(6-nitro-3-pyridinyl)oxy]phenol?
The InChIKey is TYAAPWSLKYICNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-8-2-1-3-9(6-8)17-10-4-5-11(12-7-10)13(15)16/h1-7,14H.
What are the key properties of 3-[(6-nitro-3-pyridinyl)oxy]phenol?
3-[(6-nitro-3-pyridinyl)oxy]phenol has a molecular weight of 232.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-nitro-3-pyridinyl)oxy]phenol is sourced from PubChem (CID 114997816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).