3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one

C7H6F2N2O4 — CID 130083169

IUPAC3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N2O4/c1-15-7-4(11(13)14)2-3(5(8)9)6(12)10-7/h2,5H,1H3,(H,10,12)
InChIKeyQPEIUJOACBEEIT-UHFFFAOYSA-N
MW220.13 g/mol
LogP1.23
Rot. Bonds3

About 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one

3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one (PubChem CID 130083169) has the molecular formula C7H6F2N2O4 and a molecular weight of 220.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
PubChem CID130083169
Molecular FormulaC7H6F2N2O4
Molecular Weight220.13 g/mol
Exact Mass220.03
IUPAC Name3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
SMILESCOc1[nH]c(=O)c(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N2O4/c1-15-7-4(11(13)14)2-3(5(8)9)6(12)10-7/h2,5H,1H3,(H,10,12)
InChIKeyQPEIUJOACBEEIT-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

3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079270
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
CID 130083170
5-(difluoromethyl)-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133102983
6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 118802906
5-bromo-3-(difluoromethyl)-6-nitro-1H-pyridin-2-one
CID 130110143
3-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonamide
CID 133102990
5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134665025
6-amino-3-(difluoromethyl)-5-methoxy-1H-pyridin-2-one
CID 130104544
ethyl 5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridine-3-carboxylate
CID 133103109
methyl 2-[5-(difluoromethyl)-4-nitro-6-oxo-1H-pyridin-2-yl]acetate
CID 133102659
2-[5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084342
methyl 5-(difluoromethyl)-6-methyl-3-nitropyridine-2-carboxylate
CID 133098779

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one (CID 130083169) is 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one is COc1[nH]c(=O)c(C(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one?
The InChIKey is QPEIUJOACBEEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O4/c1-15-7-4(11(13)14)2-3(5(8)9)6(12)10-7/h2,5H,1H3,(H,10,12).
What are the key properties of 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one?
3-(difluoromethyl)-6-methoxy-5-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 3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 130083169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).