1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile

C9H7FN2O — CID 166401201

IUPAC1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile
SMILESC=C(F)Cn1ccc(C#N)cc1=O
InChIInChI=1S/C9H7FN2O/c1-7(10)6-12-3-2-8(5-11)4-9(12)13/h2-4H,1,6H2
InChIKeyMCDGDJJJYHLQSZ-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.20
Rot. Bonds2

About 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile

1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile (PubChem CID 166401201) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile
PubChem CID166401201
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile
SMILESC=C(F)Cn1ccc(C#N)cc1=O
InChIInChI=1S/C9H7FN2O/c1-7(10)6-12-3-2-8(5-11)4-9(12)13/h2-4H,1,6H2
InChIKeyMCDGDJJJYHLQSZ-UHFFFAOYSA-N
XLogP1.20
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile?
The IUPAC name of 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile (CID 166401201) is 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile.
What is the SMILES notation for 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile?
The canonical SMILES for 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile is C=C(F)Cn1ccc(C#N)cc1=O.
What is the InChIKey of 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile?
The InChIKey is MCDGDJJJYHLQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-7(10)6-12-3-2-8(5-11)4-9(12)13/h2-4H,1,6H2.
What are the key properties of 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile?
1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile has a molecular weight of 178.17 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroprop-2-enyl)-2-oxopyridine-4-carbonitrile is sourced from PubChem (CID 166401201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).