4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one

C7H6F2N2O4 — CID 118823181

IUPAC4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H6F2N2O4/c1-15-3-2-10-7(12)5(11(13)14)4(3)6(8)9/h2,6H,1H3,(H,10,12)
InChIKeyYEMNSUYKXOGBDK-UHFFFAOYSA-N
MW220.13 g/mol
LogP1.23
Rot. Bonds3

About 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one

4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one (PubChem CID 118823181) has the molecular formula C7H6F2N2O4 and a molecular weight of 220.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one
PubChem CID118823181
Molecular FormulaC7H6F2N2O4
Molecular Weight220.13 g/mol
Exact Mass220.03
IUPAC Name4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H6F2N2O4/c1-15-3-2-10-7(12)5(11(13)14)4(3)6(8)9/h2,6H,1H3,(H,10,12)
InChIKeyYEMNSUYKXOGBDK-UHFFFAOYSA-N
XLogP1.23
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 51.23
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

5-amino-4-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130104623
4-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 118817883
3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133102926
3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 130083415
4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
CID 118812631
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
CID 130083170
4-(difluoromethyl)-5-methoxy-3-nitropyridine-2-carbonitrile
CID 134672422
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133103318
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
CID 130084427
3-methoxy-6-nitro-1H-pyridin-2-one
CID 71303003
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonyl chloride
CID 133103135
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one (CID 118823181) is 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one is COc1c[nH]c(=O)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one?
The InChIKey is YEMNSUYKXOGBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O4/c1-15-3-2-10-7(12)5(11(13)14)4(3)6(8)9/h2,6H,1H3,(H,10,12).
What are the key properties of 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one?
4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one has a molecular weight of 220.13 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 118823181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).