6-(4-nitrophenyl)-1H-pyridin-2-one

C11H8N2O3 — CID 122200181

IUPAC6-(4-nitrophenyl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2ccc([N+](=O)[O-])cc2)[nH]1
InChIInChI=1S/C11H8N2O3/c14-11-3-1-2-10(12-11)8-4-6-9(7-5-8)13(15)16/h1-7H,(H,12,14)
InChIKeyWACSJQUNLMQBLJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.95
Rot. Bonds2

About 6-(4-nitrophenyl)-1H-pyridin-2-one

6-(4-nitrophenyl)-1H-pyridin-2-one (PubChem CID 122200181) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 6-(4-nitrophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-nitrophenyl)-1H-pyridin-2-one
PubChem CID122200181
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name6-(4-nitrophenyl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2ccc([N+](=O)[O-])cc2)[nH]1
InChIInChI=1S/C11H8N2O3/c14-11-3-1-2-10(12-11)8-4-6-9(7-5-8)13(15)16/h1-7H,(H,12,14)
InChIKeyWACSJQUNLMQBLJ-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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Related Compounds

6-(3-bromo-5-nitrophenyl)-1H-pyridin-2-one
CID 122358383
2-(4-nitrophenyl)-1H-pyrimidin-6-one
CID 43654581
4,6-bis(4-nitrophenyl)-1H-pyrimidin-2-one
CID 630860
3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 2179703
5-nitro-6-(4-nitrophenyl)-1H-pyrimidine-2,4-dione
CID 3616896
4-(4-nitrophenyl)-3H-1,3-oxazole-2-thione
CID 106799039
6-(4-cyclobutylphenyl)-1H-pyridin-2-one
CID 106521742
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
3-(4-nitrophenyl)-1H-pyridazin-6-one
CID 10921934
4-methyl-2-(4-nitrophenyl)-1H-pyrrole
CID 102097290

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-nitrophenyl)-1H-pyridin-2-one (CID 122200181) is 6-(4-nitrophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-nitrophenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-nitrophenyl)-1H-pyridin-2-one is O=c1cccc(-c2ccc([N+](=O)[O-])cc2)[nH]1.
What is the InChIKey of 6-(4-nitrophenyl)-1H-pyridin-2-one?
The InChIKey is WACSJQUNLMQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11-3-1-2-10(12-11)8-4-6-9(7-5-8)13(15)16/h1-7H,(H,12,14).
What are the key properties of 6-(4-nitrophenyl)-1H-pyridin-2-one?
6-(4-nitrophenyl)-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 6-(4-nitrophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 122200181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).