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

C11H15FN4 — CID 123539477

IUPAC5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\C1CCCN1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H15FN4/c1-15-6-2-3-9(15)11(14)16-7-8(12)4-5-10(16)13/h4-5,7,9,13-14H,2-3,6H2,1H3/b13-10+,14-11+
InChIKeyHLWAFCCPCOQOMG-IFQMDVHZSA-N
MW222.27 g/mol
LogP1.03
Rot. Bonds1

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

5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine (PubChem CID 123539477) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine
PubChem CID123539477
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine
SMILES[H]/N=C(\C1CCCN1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C11H15FN4/c1-15-6-2-3-9(15)11(14)16-7-8(12)4-5-10(16)13/h4-5,7,9,13-14H,2-3,6H2,1H3/b13-10+,14-11+
InChIKeyHLWAFCCPCOQOMG-IFQMDVHZSA-N
XLogP1.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.03
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
5-fluoro-1-[(2S)-1,4,4-trimethylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 89624967
5-Fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine
CID 123321148
5-Fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine
CID 123505765
5-Fluoro-1-(2-methylpyrrolidine-1-carboximidoyl)pyridin-2-imine
CID 123569173
1-[2-(1-Ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine
CID 123799578
5-Fluoro-1-(1-methylpiperidine-2-carboximidoyl)pyridin-2-imine
CID 123972496
5-fluoro-1-[(2S)-1-propan-2-ylpiperidine-2-carboximidoyl]pyridin-2-imine
CID 129294930
5-fluoro-1-[(2S,5S)-5-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 129302472
5-fluoro-1-[(2S)-1-methylazetidine-2-carboximidoyl]pyridin-2-imine
CID 129311871
1-[(2R)-1,2-dimethylpyrrolidine-2-carboximidoyl]-5-fluoropyridin-2-imine
CID 142489736
(5-fluoro-2-imino-1-pyridinyl)-[(2S)-1-methylpyrrolidin-2-yl]methanamine
CID 144753108

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine?
The IUPAC name of 5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine (CID 123539477) is 5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine is [H]/N=C(\C1CCCN1C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine?
The InChIKey is HLWAFCCPCOQOMG-IFQMDVHZSA-N. The full InChI is InChI=1S/C11H15FN4/c1-15-6-2-3-9(15)11(14)16-7-8(12)4-5-10(16)13/h4-5,7,9,13-14H,2-3,6H2,1H3/b13-10+,14-11+.
What are the key properties of 5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine?
5-fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine has a molecular weight of 222.27 g/mol, XLogP of 1.03, 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-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine is sourced from PubChem (CID 123539477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).