5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde

C7H4F2N2O4 — CID 130084427

IUPAC5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)c[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N2O4/c8-6(9)3-1-10-7(13)5(11(14)15)4(3)2-12/h1-2,6H,(H,10,13)
InChIKeyUFZYXKWTAAITFO-UHFFFAOYSA-N
MW218.11 g/mol
LogP1.03
Rot. Bonds3

About 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde

5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 130084427) has the molecular formula C7H4F2N2O4 and a molecular weight of 218.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID130084427
Molecular FormulaC7H4F2N2O4
Molecular Weight218.11 g/mol
Exact Mass218.01
IUPAC Name5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)c[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H4F2N2O4/c8-6(9)3-1-10-7(13)5(11(14)15)4(3)2-12/h1-2,6H,(H,10,13)
InChIKeyUFZYXKWTAAITFO-UHFFFAOYSA-N
XLogP1.03
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133103318
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonyl chloride
CID 133103135
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
CID 130076847
5-amino-4-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130104623
2-[5-(difluoromethyl)-4-nitro-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084357
4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651
5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083468
5-(difluoromethyl)-2-(hydroxymethyl)-3-nitro-1H-pyridin-4-one
CID 130084380
4-(difluoromethyl)-5-methoxy-3-nitro-1H-pyridin-2-one
CID 118823181
ethyl 5-(difluoromethyl)-4-nitro-2-oxo-1H-pyridine-3-carboxylate
CID 133102808

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde (CID 130084427) is 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde is O=Cc1c(C(F)F)c[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is UFZYXKWTAAITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O4/c8-6(9)3-1-10-7(13)5(11(14)15)4(3)2-12/h1-2,6H,(H,10,13).
What are the key properties of 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde?
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 218.11 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 130084427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).