1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine

C13H19FN4 — CID 123799578

IUPAC1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine
SMILES[H]/N=C(\CC1CCCN1CC)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C13H19FN4/c1-2-17-7-3-4-11(17)8-13(16)18-9-10(14)5-6-12(18)15/h5-6,9,11,15-16H,2-4,7-8H2,1H3/b15-12+,16-13+
InChIKeyUGUTXKPDCVAGBO-WSGPNKEYSA-N
MW250.32 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine

1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine (PubChem CID 123799578) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine
PubChem CID123799578
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine
SMILES[H]/N=C(\CC1CCCN1CC)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C13H19FN4/c1-2-17-7-3-4-11(17)8-13(16)18-9-10(14)5-6-12(18)15/h5-6,9,11,15-16H,2-4,7-8H2,1H3/b15-12+,16-13+
InChIKeyUGUTXKPDCVAGBO-WSGPNKEYSA-N
XLogP1.81
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine?
The IUPAC name of 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine (CID 123799578) is 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine.
What is the SMILES notation for 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine?
The canonical SMILES for 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine is [H]/N=C(\CC1CCCN1CC)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine?
The InChIKey is UGUTXKPDCVAGBO-WSGPNKEYSA-N. The full InChI is InChI=1S/C13H19FN4/c1-2-17-7-3-4-11(17)8-13(16)18-9-10(14)5-6-12(18)15/h5-6,9,11,15-16H,2-4,7-8H2,1H3/b15-12+,16-13+.
What are the key properties of 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine?
1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine has a molecular weight of 250.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrrolidin-2-yl)ethanimidoyl]-5-fluoropyridin-2-imine is sourced from PubChem (CID 123799578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).