3-nitro-2-phenoxypyridine

C11H8N2O3 — CID 901896

IUPAC3-nitro-2-phenoxypyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccccc1
InChIInChI=1S/C11H8N2O3/c14-13(15)10-7-4-8-12-11(10)16-9-5-2-1-3-6-9/h1-8H
InChIKeySUUZDNBBAQOFQR-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.78
Rot. Bonds3

About 3-nitro-2-phenoxypyridine

3-nitro-2-phenoxypyridine (PubChem CID 901896) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-nitro-2-phenoxypyridine.

Molecular Properties

Compound Name3-nitro-2-phenoxypyridine
PubChem CID901896
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name3-nitro-2-phenoxypyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccccc1
InChIInChI=1S/C11H8N2O3/c14-13(15)10-7-4-8-12-11(10)16-9-5-2-1-3-6-9/h1-8H
InChIKeySUUZDNBBAQOFQR-UHFFFAOYSA-N
XLogP2.78
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-phenoxypyridine?
The IUPAC name of 3-nitro-2-phenoxypyridine (CID 901896) is 3-nitro-2-phenoxypyridine.
What is the SMILES notation for 3-nitro-2-phenoxypyridine?
The canonical SMILES for 3-nitro-2-phenoxypyridine is O=[N+]([O-])c1cccnc1Oc1ccccc1.
What is the InChIKey of 3-nitro-2-phenoxypyridine?
The InChIKey is SUUZDNBBAQOFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-13(15)10-7-4-8-12-11(10)16-9-5-2-1-3-6-9/h1-8H.
What are the key properties of 3-nitro-2-phenoxypyridine?
3-nitro-2-phenoxypyridine has a molecular weight of 216.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-phenoxypyridine is sourced from PubChem (CID 901896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).