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

C11H15FN4 — CID 123569653

IUPAC5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\N1CCCCC1)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H15FN4/c12-9-4-5-10(13)16(8-9)11(14)15-6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7H2/b13-10+,14-11+
InChIKeyZRVZQOVJAVYMMR-IFQMDVHZSA-N
MW222.27 g/mol
LogP1.38
Rot. Bonds

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

5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine (PubChem CID 123569653) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine
PubChem CID123569653
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\N1CCCCC1)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H15FN4/c12-9-4-5-10(13)16(8-9)11(14)15-6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7H2/b13-10+,14-11+
InChIKeyZRVZQOVJAVYMMR-IFQMDVHZSA-N
XLogP1.38
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 ≤ 51.38
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-(piperidine-1-carboximidoyl)pyridin-2-imine?
The IUPAC name of 5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine (CID 123569653) is 5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine is [H]/N=C(\N1CCCCC1)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine?
The InChIKey is ZRVZQOVJAVYMMR-IFQMDVHZSA-N. The full InChI is InChI=1S/C11H15FN4/c12-9-4-5-10(13)16(8-9)11(14)15-6-2-1-3-7-15/h4-5,8,13-14H,1-3,6-7H2/b13-10+,14-11+.
What are the key properties of 5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine?
5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine has a molecular weight of 222.27 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(piperidine-1-carboximidoyl)pyridin-2-imine is sourced from PubChem (CID 123569653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).