5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine

C12H17FN4 — CID 123321148

IUPAC5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine
SMILES[H]/N=C(\CC1CCCN1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C12H17FN4/c1-16-6-2-3-10(16)7-12(15)17-8-9(13)4-5-11(17)14/h4-5,8,10,14-15H,2-3,6-7H2,1H3/b14-11+,15-12+
InChIKeyHNGMVEFTSPSDEC-LCPPQYOVSA-N
MW236.29 g/mol
LogP1.42
Rot. Bonds2

About 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine

5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine (PubChem CID 123321148) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine.

Molecular Properties

Compound Name5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine
PubChem CID123321148
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine
SMILES[H]/N=C(\CC1CCCN1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C12H17FN4/c1-16-6-2-3-10(16)7-12(15)17-8-9(13)4-5-11(17)14/h4-5,8,10,14-15H,2-3,6-7H2,1H3/b14-11+,15-12+
InChIKeyHNGMVEFTSPSDEC-LCPPQYOVSA-N
XLogP1.42
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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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Related Compounds

5-fluoro-1-[(2R)-1-methylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 89624903
5-fluoro-1-[(3R)-1-methylpyrrolidine-3-carboximidoyl]pyridin-2-imine
CID 89624957
5-fluoro-1-[(2S)-1,4,4-trimethylpyrrolidine-2-carboximidoyl]pyridin-2-imine
CID 89624967
5-Fluoro-1-(2-methyl-2-pyrrolidin-1-ylpropanimidoyl)pyridin-2-imine
CID 123505765
5-Fluoro-1-(1-methylpyrrolidine-2-carboximidoyl)pyridin-2-imine
CID 123539477
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
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-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine?
The IUPAC name of 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine (CID 123321148) is 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine.
What is the SMILES notation for 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine?
The canonical SMILES for 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine is [H]/N=C(\CC1CCCN1C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine?
The InChIKey is HNGMVEFTSPSDEC-LCPPQYOVSA-N. The full InChI is InChI=1S/C12H17FN4/c1-16-6-2-3-10(16)7-12(15)17-8-9(13)4-5-11(17)14/h4-5,8,10,14-15H,2-3,6-7H2,1H3/b14-11+,15-12+.
What are the key properties of 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine?
5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine has a molecular weight of 236.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-(1-methylpyrrolidin-2-yl)ethanimidoyl]pyridin-2-imine is sourced from PubChem (CID 123321148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).