6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one

C11H9N3O3 — CID 20550316

IUPAC6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one
SMILESCc1cc(-c2ccc([N+](=O)[O-])c(=O)[nH]2)ccn1
InChIInChI=1S/C11H9N3O3/c1-7-6-8(4-5-12-7)9-2-3-10(14(16)17)11(15)13-9/h2-6H,1H3,(H,13,15)
InChIKeyVQACXSXOXHZPCE-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.65
Rot. Bonds2

About 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one

6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one (PubChem CID 20550316) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one
PubChem CID20550316
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one
SMILESCc1cc(-c2ccc([N+](=O)[O-])c(=O)[nH]2)ccn1
InChIInChI=1S/C11H9N3O3/c1-7-6-8(4-5-12-7)9-2-3-10(14(16)17)11(15)13-9/h2-6H,1H3,(H,13,15)
InChIKeyVQACXSXOXHZPCE-UHFFFAOYSA-N
XLogP1.65
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one?
The IUPAC name of 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one (CID 20550316) is 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one is Cc1cc(-c2ccc([N+](=O)[O-])c(=O)[nH]2)ccn1.
What is the InChIKey of 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one?
The InChIKey is VQACXSXOXHZPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-7-6-8(4-5-12-7)9-2-3-10(14(16)17)11(15)13-9/h2-6H,1H3,(H,13,15).
What are the key properties of 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one?
6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one has a molecular weight of 231.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4-pyridinyl)-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 20550316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).