ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate

C12H15FN2O — CID 123448581

IUPACethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate
SMILES[H]/N=C(\OCC)C1CC1c1ccc(CF)cn1
InChIInChI=1S/C12H15FN2O/c1-2-16-12(14)10-5-9(10)11-4-3-8(6-13)7-15-11/h3-4,7,9-10,14H,2,5-6H2,1H3/b14-12-
InChIKeyVBMCEBZMBDTSMU-OWBHPGMISA-N
MW222.26 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate

ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate (PubChem CID 123448581) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate.

Molecular Properties

Compound Nameethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate
PubChem CID123448581
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Nameethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate
SMILES[H]/N=C(\OCC)C1CC1c1ccc(CF)cn1
InChIInChI=1S/C12H15FN2O/c1-2-16-12(14)10-5-9(10)11-4-3-8(6-13)7-15-11/h3-4,7,9-10,14H,2,5-6H2,1H3/b14-12-
InChIKeyVBMCEBZMBDTSMU-OWBHPGMISA-N
XLogP2.67
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate?
The IUPAC name of ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate (CID 123448581) is ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate.
What is the SMILES notation for ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate?
The canonical SMILES for ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate is [H]/N=C(\OCC)C1CC1c1ccc(CF)cn1.
What is the InChIKey of ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate?
The InChIKey is VBMCEBZMBDTSMU-OWBHPGMISA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-16-12(14)10-5-9(10)11-4-3-8(6-13)7-15-11/h3-4,7,9-10,14H,2,5-6H2,1H3/b14-12-.
What are the key properties of ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate?
ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate has a molecular weight of 222.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(fluoromethyl)-2-pyridinyl]cyclopropane-1-carboximidate is sourced from PubChem (CID 123448581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).