3-methyl-2-nitro-1H-pyridin-4-one

C6H6N2O3 — CID 130898113

IUPAC3-methyl-2-nitro-1H-pyridin-4-one
SMILESCc1c([N+](=O)[O-])[nH]ccc1=O
InChIInChI=1S/C6H6N2O3/c1-4-5(9)2-3-7-6(4)8(10)11/h2-3H,1H3,(H,7,9)
InChIKeyKONYKEAWNXDYGJ-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.59
Rot. Bonds1

About 3-methyl-2-nitro-1H-pyridin-4-one

3-methyl-2-nitro-1H-pyridin-4-one (PubChem CID 130898113) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-methyl-2-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methyl-2-nitro-1H-pyridin-4-one
PubChem CID130898113
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name3-methyl-2-nitro-1H-pyridin-4-one
SMILESCc1c([N+](=O)[O-])[nH]ccc1=O
InChIInChI=1S/C6H6N2O3/c1-4-5(9)2-3-7-6(4)8(10)11/h2-3H,1H3,(H,7,9)
InChIKeyKONYKEAWNXDYGJ-UHFFFAOYSA-N
XLogP0.59
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.59
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 3-methyl-2-nitro-1H-pyridin-4-one?
The IUPAC name of 3-methyl-2-nitro-1H-pyridin-4-one (CID 130898113) is 3-methyl-2-nitro-1H-pyridin-4-one.
What is the SMILES notation for 3-methyl-2-nitro-1H-pyridin-4-one?
The canonical SMILES for 3-methyl-2-nitro-1H-pyridin-4-one is Cc1c([N+](=O)[O-])[nH]ccc1=O.
What is the InChIKey of 3-methyl-2-nitro-1H-pyridin-4-one?
The InChIKey is KONYKEAWNXDYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-4-5(9)2-3-7-6(4)8(10)11/h2-3H,1H3,(H,7,9).
What are the key properties of 3-methyl-2-nitro-1H-pyridin-4-one?
3-methyl-2-nitro-1H-pyridin-4-one has a molecular weight of 154.12 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-nitro-1H-pyridin-4-one is sourced from PubChem (CID 130898113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).