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

C11H15FN4 — CID 129302472

IUPAC5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
SMILES[H]/N=C(\[C@@H]1CC[C@H](C)N1)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H15FN4/c1-7-2-4-9(15-7)11(14)16-6-8(12)3-5-10(16)13/h3,5-7,9,13-15H,2,4H2,1H3/b13-10+,14-11+/t7-,9-/m0/s1
InChIKeyCONHBNYWOWZSSM-RAIASSJMSA-N
MW222.27 g/mol
LogP1.07
Rot. Bonds1

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

5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine (PubChem CID 129302472) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
PubChem CID129302472
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
SMILES[H]/N=C(\[C@@H]1CC[C@H](C)N1)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H15FN4/c1-7-2-4-9(15-7)11(14)16-6-8(12)3-5-10(16)13/h3,5-7,9,13-15H,2,4H2,1H3/b13-10+,14-11+/t7-,9-/m0/s1
InChIKeyCONHBNYWOWZSSM-RAIASSJMSA-N
XLogP1.07
TPSA64.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
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-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine?
The IUPAC name of 5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine (CID 129302472) is 5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine is [H]/N=C(\[C@@H]1CC[C@H](C)N1)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine?
The InChIKey is CONHBNYWOWZSSM-RAIASSJMSA-N. The full InChI is InChI=1S/C11H15FN4/c1-7-2-4-9(15-7)11(14)16-6-8(12)3-5-10(16)13/h3,5-7,9,13-15H,2,4H2,1H3/b13-10+,14-11+/t7-,9-/m0/s1.
What are the key properties of 5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine?
5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine has a molecular weight of 222.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine is sourced from PubChem (CID 129302472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).