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

C12H17FN4 — CID 123972496

IUPAC5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\C1CCCCN1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C12H17FN4/c1-16-7-3-2-4-10(16)12(15)17-8-9(13)5-6-11(17)14/h5-6,8,10,14-15H,2-4,7H2,1H3/b14-11+,15-12+
InChIKeyYTSVMEXUJSJYJE-LCPPQYOVSA-N
MW236.29 g/mol
LogP1.42
Rot. Bonds1

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

5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine (PubChem CID 123972496) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine
PubChem CID123972496
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\C1CCCCN1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C12H17FN4/c1-16-7-3-2-4-10(16)12(15)17-8-9(13)5-6-11(17)14/h5-6,8,10,14-15H,2-4,7H2,1H3/b14-11+,15-12+
InChIKeyYTSVMEXUJSJYJE-LCPPQYOVSA-N
XLogP1.42
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine?
The IUPAC name of 5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine (CID 123972496) is 5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine is [H]/N=C(\C1CCCCN1C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine?
The InChIKey is YTSVMEXUJSJYJE-LCPPQYOVSA-N. The full InChI is InChI=1S/C12H17FN4/c1-16-7-3-2-4-10(16)12(15)17-8-9(13)5-6-11(17)14/h5-6,8,10,14-15H,2-4,7H2,1H3/b14-11+,15-12+.
What are the key properties of 5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine?
5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine has a molecular weight of 236.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine is sourced from PubChem (CID 123972496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).