6-methoxy-4-nitro-1H-pyridin-2-one

C6H6N2O4 — CID 125114463

IUPAC6-methoxy-4-nitro-1H-pyridin-2-one
SMILESCOc1cc([N+](=O)[O-])cc(=O)[nH]1
InChIInChI=1S/C6H6N2O4/c1-12-6-3-4(8(10)11)2-5(9)7-6/h2-3H,1H3,(H,7,9)
InChIKeyFVQAYNQTAWFRJT-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.29
Rot. Bonds2

About 6-methoxy-4-nitro-1H-pyridin-2-one

6-methoxy-4-nitro-1H-pyridin-2-one (PubChem CID 125114463) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 6-methoxy-4-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methoxy-4-nitro-1H-pyridin-2-one
PubChem CID125114463
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name6-methoxy-4-nitro-1H-pyridin-2-one
SMILESCOc1cc([N+](=O)[O-])cc(=O)[nH]1
InChIInChI=1S/C6H6N2O4/c1-12-6-3-4(8(10)11)2-5(9)7-6/h2-3H,1H3,(H,7,9)
InChIKeyFVQAYNQTAWFRJT-UHFFFAOYSA-N
XLogP0.29
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.29
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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Related Compounds

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CID 605060
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7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid
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1-iodo-3,5-dinitrobenzene;1-iodo-3-methoxy-5-nitrobenzene
CID 162138503
7-methoxy-5-nitro-1H-indole
CID 10797804
3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one
CID 82235274
dimethyl 2-(4-nitrophenyl)-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 10882134
4-methoxy-5-nitro-1H-pyridin-2-one
CID 26370134
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
2-amino-3-methoxy-5-nitrobenzenethiol
CID 71345154
N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine
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15,16-dimethyl-6,13-dinitrotricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 11727129

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-nitro-1H-pyridin-2-one?
The IUPAC name of 6-methoxy-4-nitro-1H-pyridin-2-one (CID 125114463) is 6-methoxy-4-nitro-1H-pyridin-2-one.
What is the SMILES notation for 6-methoxy-4-nitro-1H-pyridin-2-one?
The canonical SMILES for 6-methoxy-4-nitro-1H-pyridin-2-one is COc1cc([N+](=O)[O-])cc(=O)[nH]1.
What is the InChIKey of 6-methoxy-4-nitro-1H-pyridin-2-one?
The InChIKey is FVQAYNQTAWFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-12-6-3-4(8(10)11)2-5(9)7-6/h2-3H,1H3,(H,7,9).
What are the key properties of 6-methoxy-4-nitro-1H-pyridin-2-one?
6-methoxy-4-nitro-1H-pyridin-2-one has a molecular weight of 170.12 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-nitro-1H-pyridin-2-one is sourced from PubChem (CID 125114463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).