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

C7H6F2N2O4 — CID 130083170

IUPAC3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
SMILESCOc1[nH]cc([N+](=O)[O-])c(=O)c1C(F)F
InChIInChI=1S/C7H6F2N2O4/c1-15-7-4(6(8)9)5(12)3(2-10-7)11(13)14/h2,6H,1H3,(H,10,12)
InChIKeyWPZKBLJYVIPDHC-UHFFFAOYSA-N
MW220.13 g/mol
LogP1.23
Rot. Bonds3

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

3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one (PubChem CID 130083170) has the molecular formula C7H6F2N2O4 and a molecular weight of 220.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
PubChem CID130083170
Molecular FormulaC7H6F2N2O4
Molecular Weight220.13 g/mol
Exact Mass220.03
IUPAC Name3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
SMILESCOc1[nH]cc([N+](=O)[O-])c(=O)c1C(F)F
InChIInChI=1S/C7H6F2N2O4/c1-15-7-4(6(8)9)5(12)3(2-10-7)11(13)14/h2,6H,1H3,(H,10,12)
InChIKeyWPZKBLJYVIPDHC-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

2-(aminomethyl)-3-(difluoromethyl)-5-nitro-1H-pyridin-4-one
CID 118803016
3-(difluoromethyl)-6-methoxy-5-nitro-1H-pyridin-2-one
CID 130083169
4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
CID 118812631
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134658857
4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one
CID 118823181
methyl 2-[2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridin-3-yl]acetate
CID 133103204
7-methoxy-3-nitro-1H-1,8-naphthyridin-4-one
CID 156713395
4-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 130076538
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile
CID 130076532
5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
CID 130083640
methyl 2-[5-(difluoromethyl)-4-nitro-6-oxo-1H-pyridin-2-yl]acetate
CID 133102659

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one?
The IUPAC name of 3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one (CID 130083170) is 3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one?
The canonical SMILES for 3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one is COc1[nH]cc([N+](=O)[O-])c(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one?
The InChIKey is WPZKBLJYVIPDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O4/c1-15-7-4(6(8)9)5(12)3(2-10-7)11(13)14/h2,6H,1H3,(H,10,12).
What are the key properties of 3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one?
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-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)-2-methoxy-5-nitro-1H-pyridin-4-one is sourced from PubChem (CID 130083170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).