5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile

C8H4F2N2O2 — CID 130076847

IUPAC5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C=O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C8H4F2N2O2/c9-7(10)5-2-12-8(14)4(1-11)6(5)3-13/h2-3,7H,(H,12,14)
InChIKeyODRYFKZAOWGKGA-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.00
Rot. Bonds2

About 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile

5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076847) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076847
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C=O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C8H4F2N2O2/c9-7(10)5-2-12-8(14)4(1-11)6(5)3-13/h2-3,7H,(H,12,14)
InChIKeyODRYFKZAOWGKGA-UHFFFAOYSA-N
XLogP1.00
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 119023722
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 130103221
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
CID 130084427
4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651
5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083468
2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076765
2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846
4-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 130076538
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile (CID 130076847) is 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(C=O)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ODRYFKZAOWGKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-7(10)5-2-12-8(14)4(1-11)6(5)3-13/h2-3,7H,(H,12,14).
What are the key properties of 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 198.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).