4-methoxy-5-nitro-1H-pyridin-2-one

C6H6N2O4 — CID 26370134

IUPAC4-methoxy-5-nitro-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O4/c1-12-5-2-6(9)7-3-4(5)8(10)11/h2-3H,1H3,(H,7,9)
InChIKeyBBXOGUKAXIFZAE-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.29
Rot. Bonds2

About 4-methoxy-5-nitro-1H-pyridin-2-one

4-methoxy-5-nitro-1H-pyridin-2-one (PubChem CID 26370134) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 4-methoxy-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-5-nitro-1H-pyridin-2-one
PubChem CID26370134
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name4-methoxy-5-nitro-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O4/c1-12-5-2-6(9)7-3-4(5)8(10)11/h2-3H,1H3,(H,7,9)
InChIKeyBBXOGUKAXIFZAE-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

4-fluoro-5-nitro-1H-pyridin-2-one
CID 118833070
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
5-methoxy-2,4-dinitrobenzenethiol
CID 101493596
5-methoxy-6-nitro-2,3-dihydro-1H-isoindole;hydrochloride
CID 177238657
5-methoxy-1,3-dimethyl-6-nitrobenzimidazol-2-one
CID 752226
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
methyl 2-hydroxy-5-methoxy-4-nitrobenzoate
CID 165356318
7-(2-chloroethoxy)-6-methoxy-3-nitro-1H-quinolin-4-one
CID 164853282
1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
7-fluoro-6-methoxy-2H-isoquinolin-3-one
CID 144609848
1-(dinitromethyl)-5-methoxy-2,4-dinitrobenzene
CID 23423952

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-nitro-1H-pyridin-2-one?
The IUPAC name of 4-methoxy-5-nitro-1H-pyridin-2-one (CID 26370134) is 4-methoxy-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-methoxy-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-methoxy-5-nitro-1H-pyridin-2-one is COc1cc(=O)[nH]cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-5-nitro-1H-pyridin-2-one?
The InChIKey is BBXOGUKAXIFZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-12-5-2-6(9)7-3-4(5)8(10)11/h2-3H,1H3,(H,7,9).
What are the key properties of 4-methoxy-5-nitro-1H-pyridin-2-one?
4-methoxy-5-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 4-methoxy-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 26370134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).