4-nitro-5-phenyl-1H-pyridin-2-one

C11H8N2O3 — CID 131260711

IUPAC4-nitro-5-phenyl-1H-pyridin-2-one
SMILESO=c1cc([N+](=O)[O-])c(-c2ccccc2)c[nH]1
InChIInChI=1S/C11H8N2O3/c14-11-6-10(13(15)16)9(7-12-11)8-4-2-1-3-5-8/h1-7H,(H,12,14)
InChIKeyDSOOGKDWGMFZAF-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.95
Rot. Bonds2

About 4-nitro-5-phenyl-1H-pyridin-2-one

4-nitro-5-phenyl-1H-pyridin-2-one (PubChem CID 131260711) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-nitro-5-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-nitro-5-phenyl-1H-pyridin-2-one
PubChem CID131260711
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4-nitro-5-phenyl-1H-pyridin-2-one
SMILESO=c1cc([N+](=O)[O-])c(-c2ccccc2)c[nH]1
InChIInChI=1S/C11H8N2O3/c14-11-6-10(13(15)16)9(7-12-11)8-4-2-1-3-5-8/h1-7H,(H,12,14)
InChIKeyDSOOGKDWGMFZAF-UHFFFAOYSA-N
XLogP1.95
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-5-phenyl-1H-pyridin-2-one?
The IUPAC name of 4-nitro-5-phenyl-1H-pyridin-2-one (CID 131260711) is 4-nitro-5-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 4-nitro-5-phenyl-1H-pyridin-2-one?
The canonical SMILES for 4-nitro-5-phenyl-1H-pyridin-2-one is O=c1cc([N+](=O)[O-])c(-c2ccccc2)c[nH]1.
What is the InChIKey of 4-nitro-5-phenyl-1H-pyridin-2-one?
The InChIKey is DSOOGKDWGMFZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11-6-10(13(15)16)9(7-12-11)8-4-2-1-3-5-8/h1-7H,(H,12,14).
What are the key properties of 4-nitro-5-phenyl-1H-pyridin-2-one?
4-nitro-5-phenyl-1H-pyridin-2-one has a molecular weight of 216.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 131260711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).