4-nitro-2-pyridin-2-ylphenol

C11H8N2O3 — CID 135604752

IUPAC4-nitro-2-pyridin-2-ylphenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2ccccn2)c1
InChIInChI=1S/C11H8N2O3/c14-11-5-4-8(13(15)16)7-9(11)10-3-1-2-6-12-10/h1-7,14H
InChIKeyJZTWSPJNEZBBNY-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.36
Rot. Bonds2

About 4-nitro-2-pyridin-2-ylphenol

4-nitro-2-pyridin-2-ylphenol (PubChem CID 135604752) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-nitro-2-pyridin-2-ylphenol.

Molecular Properties

Compound Name4-nitro-2-pyridin-2-ylphenol
PubChem CID135604752
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4-nitro-2-pyridin-2-ylphenol
SMILESO=[N+]([O-])c1ccc(O)c(-c2ccccn2)c1
InChIInChI=1S/C11H8N2O3/c14-11-5-4-8(13(15)16)7-9(11)10-3-1-2-6-12-10/h1-7,14H
InChIKeyJZTWSPJNEZBBNY-UHFFFAOYSA-N
XLogP2.36
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-pyridin-2-ylphenol?
The IUPAC name of 4-nitro-2-pyridin-2-ylphenol (CID 135604752) is 4-nitro-2-pyridin-2-ylphenol.
What is the SMILES notation for 4-nitro-2-pyridin-2-ylphenol?
The canonical SMILES for 4-nitro-2-pyridin-2-ylphenol is O=[N+]([O-])c1ccc(O)c(-c2ccccn2)c1.
What is the InChIKey of 4-nitro-2-pyridin-2-ylphenol?
The InChIKey is JZTWSPJNEZBBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11-5-4-8(13(15)16)7-9(11)10-3-1-2-6-12-10/h1-7,14H.
What are the key properties of 4-nitro-2-pyridin-2-ylphenol?
4-nitro-2-pyridin-2-ylphenol has a molecular weight of 216.20 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-pyridin-2-ylphenol is sourced from PubChem (CID 135604752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).