6-methyl-3-nitro-3H-pyridin-2-one

C6H6N2O3 — CID 45074629

IUPAC6-methyl-3-nitro-3H-pyridin-2-one
SMILESCC1=NC(=O)C([N+](=O)[O-])C=C1
InChIInChI=1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3,5H,1H3
InChIKeyFJFOEUAFALMSTR-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.19
Rot. Bonds1

About 6-methyl-3-nitro-3H-pyridin-2-one

6-methyl-3-nitro-3H-pyridin-2-one (PubChem CID 45074629) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 6-methyl-3-nitro-3H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-nitro-3H-pyridin-2-one
PubChem CID45074629
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name6-methyl-3-nitro-3H-pyridin-2-one
SMILESCC1=NC(=O)C([N+](=O)[O-])C=C1
InChIInChI=1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3,5H,1H3
InChIKeyFJFOEUAFALMSTR-UHFFFAOYSA-N
XLogP0.19
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.19
H-Bond Donors ≤ 50
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 6-methyl-3-nitro-3H-pyridin-2-one?
The IUPAC name of 6-methyl-3-nitro-3H-pyridin-2-one (CID 45074629) is 6-methyl-3-nitro-3H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-nitro-3H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-nitro-3H-pyridin-2-one is CC1=NC(=O)C([N+](=O)[O-])C=C1.
What is the InChIKey of 6-methyl-3-nitro-3H-pyridin-2-one?
The InChIKey is FJFOEUAFALMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3,5H,1H3.
What are the key properties of 6-methyl-3-nitro-3H-pyridin-2-one?
6-methyl-3-nitro-3H-pyridin-2-one has a molecular weight of 154.12 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-3H-pyridin-2-one is sourced from PubChem (CID 45074629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).