3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile

C8H4F2N2O2 — CID 119006993

IUPAC3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(C=O)cc(=O)c1C(F)F
InChIInChI=1S/C8H4F2N2O2/c9-8(10)7-5(2-11)12-4(3-13)1-6(7)14/h1,3,8H,(H,12,14)
InChIKeyPCYNQCWHDPPKIJ-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.00
Rot. Bonds2

About 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile

3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 119006993) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID119006993
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(C=O)cc(=O)c1C(F)F
InChIInChI=1S/C8H4F2N2O2/c9-8(10)7-5(2-11)12-4(3-13)1-6(7)14/h1,3,8H,(H,12,14)
InChIKeyPCYNQCWHDPPKIJ-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

4-Hydroxy-6-(trifluoromethyl)picolinaldehyde
CID 72214091
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethyl)pyridine-6-carboxaldehyde
CID 118803840
2-(Aminomethyl)-3-(difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118814293
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118814604
2-(Difluoromethyl)-4-hydroxypyridine-6-carboxaldehyde
CID 118820445
2-(Difluoromethyl)-4-hydroxy-3-methylpyridine-6-carboxaldehyde
CID 118831717
2-(Difluoromethyl)-3-fluoro-4-hydroxypyridine-6-carboxaldehyde
CID 118837246
6-Amino-5-(difluoromethyl)-4-hydroxypicolinaldehyde
CID 118992620
6-Chloro-5-(difluoromethyl)-4-hydroxypicolinaldehyde
CID 119010301
3-(Difluoromethyl)-4-hydroxy-6-methylpicolinonitrile
CID 119013503
6-Bromo-5-(difluoromethyl)-4-hydroxypicolinaldehyde
CID 119018323
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile (CID 119006993) is 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(C=O)cc(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is PCYNQCWHDPPKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-8(10)7-5(2-11)12-4(3-13)1-6(7)14/h1,3,8H,(H,12,14).
What are the key properties of 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile?
3-(difluoromethyl)-6-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 3-(difluoromethyl)-6-formyl-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119006993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).