5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C11H9F3N2O2 — CID 59034244

IUPAC5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC=C1C(=O)N(CCC)C(=O)C(C#N)=C1C(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c1-3-4-16-9(17)6(2)8(11(12,13)14)7(5-15)10(16)18/h2-4H2,1H3
InChIKeyWEGDPIFYXJECFF-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.70
Rot. Bonds2

About 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile

5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 59034244) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID59034244
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC=C1C(=O)N(CCC)C(=O)C(C#N)=C1C(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c1-3-4-16-9(17)6(2)8(11(12,13)14)7(5-15)10(16)18/h2-4H2,1H3
InChIKeyWEGDPIFYXJECFF-UHFFFAOYSA-N
XLogP1.70
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile
CID 15332744
1,3-Dimethyl-5-methylidene-4-(trifluoromethyl)pyridine-2,6-dione
CID 53810611
1-methyl-2,6-dioxo-4-(trifluoromethyl)-3H-pyridine-5-carbonitrile
CID 54461668
1-Butyl-5-methylidene-2,6-dioxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59034213
1-Hexyl-5-methylidene-2,6-dioxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59034242
1-Methyl-5-methylidene-2,6-dioxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 142172938
5-Ethylidene-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 171037472
1-Butyl-4-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
CID 23558463
4-methyl-1-(2-methylpropyl)-2,6-dioxo-3H-pyridine-5-carbonitrile
CID 50885397
1-Ethyl-2,6-dioxo-5-propan-2-ylidenepyridine-3-carbonitrile
CID 57879705
1-Ethyl-4-methyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
CID 59034206
1,4-Dimethyl-5-methylidene-2,6-dioxopyridine-3-carbonitrile
CID 59034208

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 59034244) is 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile is C=C1C(=O)N(CCC)C(=O)C(C#N)=C1C(F)(F)F.
What is the InChIKey of 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WEGDPIFYXJECFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-3-4-16-9(17)6(2)8(11(12,13)14)7(5-15)10(16)18/h2-4H2,1H3.
What are the key properties of 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 258.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,6-dioxo-1-propyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 59034244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).