1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine

C9H15FN2 — CID 57322744

IUPAC1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(CC)=CN(CC)C1F
InChIInChI=1S/C9H15FN2/c1-3-7-5-8(11)9(10)12(4-2)6-7/h6,9,11H,3-5H2,1-2H3/b11-8+
InChIKeyDTZGFLIWLPEQPB-DHZHZOJOSA-N
MW170.23 g/mol
LogP2.32
Rot. Bonds2

About 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine

1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine (PubChem CID 57322744) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine
PubChem CID57322744
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC(CC)=CN(CC)C1F
InChIInChI=1S/C9H15FN2/c1-3-7-5-8(11)9(10)12(4-2)6-7/h6,9,11H,3-5H2,1-2H3/b11-8+
InChIKeyDTZGFLIWLPEQPB-DHZHZOJOSA-N
XLogP2.32
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine?
The IUPAC name of 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine (CID 57322744) is 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine is [H]/N=C1\CC(CC)=CN(CC)C1F.
What is the InChIKey of 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine?
The InChIKey is DTZGFLIWLPEQPB-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H15FN2/c1-3-7-5-8(11)9(10)12(4-2)6-7/h6,9,11H,3-5H2,1-2H3/b11-8+.
What are the key properties of 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine?
1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine has a molecular weight of 170.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-2-fluoro-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 57322744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).