5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine

C10H13FN4 — CID 129311871

IUPAC5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine
SMILES[H]/N=C(\[C@@H]1CCN1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C10H13FN4/c1-14-5-4-8(14)10(13)15-6-7(11)2-3-9(15)12/h2-3,6,8,12-13H,4-5H2,1H3/b12-9+,13-10+/t8-/m0/s1
InChIKeyVKMLKPTXOLWMNR-CAGCYRIISA-N
MW208.24 g/mol
LogP0.64
Rot. Bonds1

About 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine

5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine (PubChem CID 129311871) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine
PubChem CID129311871
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine
SMILES[H]/N=C(\[C@@H]1CCN1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C10H13FN4/c1-14-5-4-8(14)10(13)15-6-7(11)2-3-9(15)12/h2-3,6,8,12-13H,4-5H2,1H3/b12-9+,13-10+/t8-/m0/s1
InChIKeyVKMLKPTXOLWMNR-CAGCYRIISA-N
XLogP0.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.64
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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Related Compounds

5-fluoro-1-[(2R)-1-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 89624903
1-(5-fluoro-2-imino-1-pyridinyl)-1-imino-N,N,2-trimethylpropan-2-amine
CID 123283292
5-Fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine
CID 123539477
3-(5-fluoro-2-imino-1-pyridinyl)-3-imino-1-N-propylpropane-1,2-diamine
CID 123589691
2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine
CID 129302384
1-[(2S)-azetidine-2-carboximidoyl]-5-fluoropyridin-2-imine
CID 129311115
5-fluoro-1-[(2S)-1-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 145588441
5-fluoro-1-[(2S,4R)-4-fluoro-1-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 145588490

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine?
The IUPAC name of 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine (CID 129311871) is 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine is [H]/N=C(\[C@@H]1CCN1C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine?
The InChIKey is VKMLKPTXOLWMNR-CAGCYRIISA-N. The full InChI is InChI=1S/C10H13FN4/c1-14-5-4-8(14)10(13)15-6-7(11)2-3-9(15)12/h2-3,6,8,12-13H,4-5H2,1H3/b12-9+,13-10+/t8-/m0/s1.
What are the key properties of 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine?
5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine has a molecular weight of 208.24 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine is sourced from PubChem (CID 129311871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).