4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one

C12H10N2O4 — CID 54719908

IUPAC4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one
SMILESCc1cc(O)c(-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1
InChIInChI=1S/C12H10N2O4/c1-7-6-10(15)11(12(16)13-7)8-2-4-9(5-3-8)14(17)18/h2-6H,1H3,(H2,13,15,16)
InChIKeyVNISXJOYPJSIJS-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.96
Rot. Bonds2

About 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one

4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one (PubChem CID 54719908) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one
PubChem CID54719908
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one
SMILESCc1cc(O)c(-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1
InChIInChI=1S/C12H10N2O4/c1-7-6-10(15)11(12(16)13-7)8-2-4-9(5-3-8)14(17)18/h2-6H,1H3,(H2,13,15,16)
InChIKeyVNISXJOYPJSIJS-UHFFFAOYSA-N
XLogP1.96
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
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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Related Compounds

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5-Methylidene-4-(4-nitrophenyl)pyrrol-2-one
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(5Z)-1,3-diacetyl-4-hydroxy-5-[(4-nitrophenyl)methylidene]pyrrol-2-one
CID 156016483
N-(4-ethylphenyl)-4-nitrobenzamide
CID 892870
2-(4-nitrophenyl)-N-(pentan-2-yl)acetamide
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2-(4-Nitrophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one (CID 54719908) is 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one is Cc1cc(O)c(-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one?
The InChIKey is VNISXJOYPJSIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7-6-10(15)11(12(16)13-7)8-2-4-9(5-3-8)14(17)18/h2-6H,1H3,(H2,13,15,16).
What are the key properties of 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one?
4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one has a molecular weight of 246.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-(4-nitrophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 54719908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).