1-nitro-6-phenylpyridin-2-one

C11H8N2O3 — CID 158899185

IUPAC1-nitro-6-phenylpyridin-2-one
SMILESO=c1cccc(-c2ccccc2)n1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O3/c14-11-8-4-7-10(12(11)13(15)16)9-5-2-1-3-6-9/h1-8H
InChIKeyJFFGFJCFHCQVIE-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.56
Rot. Bonds2

About 1-nitro-6-phenylpyridin-2-one

1-nitro-6-phenylpyridin-2-one (PubChem CID 158899185) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-nitro-6-phenylpyridin-2-one.

Molecular Properties

Compound Name1-nitro-6-phenylpyridin-2-one
PubChem CID158899185
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name1-nitro-6-phenylpyridin-2-one
SMILESO=c1cccc(-c2ccccc2)n1[N+](=O)[O-]
InChIInChI=1S/C11H8N2O3/c14-11-8-4-7-10(12(11)13(15)16)9-5-2-1-3-6-9/h1-8H
InChIKeyJFFGFJCFHCQVIE-UHFFFAOYSA-N
XLogP1.56
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 1-nitro-6-phenylpyridin-2-one?
The IUPAC name of 1-nitro-6-phenylpyridin-2-one (CID 158899185) is 1-nitro-6-phenylpyridin-2-one.
What is the SMILES notation for 1-nitro-6-phenylpyridin-2-one?
The canonical SMILES for 1-nitro-6-phenylpyridin-2-one is O=c1cccc(-c2ccccc2)n1[N+](=O)[O-].
What is the InChIKey of 1-nitro-6-phenylpyridin-2-one?
The InChIKey is JFFGFJCFHCQVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11-8-4-7-10(12(11)13(15)16)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 1-nitro-6-phenylpyridin-2-one?
1-nitro-6-phenylpyridin-2-one has a molecular weight of 216.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-6-phenylpyridin-2-one is sourced from PubChem (CID 158899185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).