5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine

C11H15FN4 — CID 123569173

IUPAC5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\N1CCCC1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H15FN4/c1-8-3-2-6-15(8)11(14)16-7-9(12)4-5-10(16)13/h4-5,7-8,13-14H,2-3,6H2,1H3/b13-10+,14-11+
InChIKeyHZNCRIREMJLDBH-IFQMDVHZSA-N
MW222.27 g/mol
LogP1.37
Rot. Bonds

About 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine

5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine (PubChem CID 123569173) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine
PubChem CID123569173
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\N1CCCC1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H15FN4/c1-8-3-2-6-15(8)11(14)16-7-9(12)4-5-10(16)13/h4-5,7-8,13-14H,2-3,6H2,1H3/b13-10+,14-11+
InChIKeyHZNCRIREMJLDBH-IFQMDVHZSA-N
XLogP1.37
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine?
The IUPAC name of 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine (CID 123569173) is 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine is [H]/N=C(\N1CCCC1C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine?
The InChIKey is HZNCRIREMJLDBH-IFQMDVHZSA-N. The full InChI is InChI=1S/C11H15FN4/c1-8-3-2-6-15(8)11(14)16-7-9(12)4-5-10(16)13/h4-5,7-8,13-14H,2-3,6H2,1H3/b13-10+,14-11+.
What are the key properties of 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine?
5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine has a molecular weight of 222.27 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine is sourced from PubChem (CID 123569173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).