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

C8H4F2N2O2 — CID 119023722

IUPAC5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]cc(C(F)F)c(=O)c1C=O
InChIInChI=1S/C8H4F2N2O2/c9-8(10)4-2-12-6(1-11)5(3-13)7(4)14/h2-3,8H,(H,12,14)
InChIKeyFBRXFAQLDOAYJU-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.00
Rot. Bonds2

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

5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 119023722) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID119023722
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]cc(C(F)F)c(=O)c1C=O
InChIInChI=1S/C8H4F2N2O2/c9-8(10)4-2-12-6(1-11)5(3-13)7(4)14/h2-3,8H,(H,12,14)
InChIKeyFBRXFAQLDOAYJU-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'}

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Related Compounds

5-(difluoromethyl)-4-formyl-2-oxo-1H-pyridine-3-carbonitrile
CID 130076847
ethyl 2-cyano-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 134662550
2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846
2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076765
4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651
2-[5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130079563
6-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076831
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130104879
5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 130085424
2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130083845
2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 133102528
5-(difluoromethyl)-4-methoxy-2-oxo-1H-pyridine-3-carbaldehyde
CID 130083468

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile (CID 119023722) is 5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]cc(C(F)F)c(=O)c1C=O.
What is the InChIKey of 5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is FBRXFAQLDOAYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-8(10)4-2-12-6(1-11)5(3-13)7(4)14/h2-3,8H,(H,12,14).
What are the key properties of 5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile?
5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-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)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119023722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).