(2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine

C10H12FI2N — CID 174261076

IUPAC(2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine
SMILESC/C=C1/C(C(F)(I)I)=CC=CN1CC
InChIInChI=1S/C10H12FI2N/c1-3-9-8(10(11,12)13)6-5-7-14(9)4-2/h3,5-7H,4H2,1-2H3/b9-3-
InChIKeyREJPYSBTIFJDMU-OQFOIZHKSA-N
MW419.02 g/mol
LogP4.16
Rot. Bonds2

About (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine

(2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine (PubChem CID 174261076) has the molecular formula C10H12FI2N and a molecular weight of 419.02 g/mol. Its IUPAC name is (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine.

Molecular Properties

Compound Name(2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine
PubChem CID174261076
Molecular FormulaC10H12FI2N
Molecular Weight419.02 g/mol
Exact Mass418.90
IUPAC Name(2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine
SMILESC/C=C1/C(C(F)(I)I)=CC=CN1CC
InChIInChI=1S/C10H12FI2N/c1-3-9-8(10(11,12)13)6-5-7-14(9)4-2/h3,5-7H,4H2,1-2H3/b9-3-
InChIKeyREJPYSBTIFJDMU-OQFOIZHKSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.02
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine 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 (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine?
The IUPAC name of (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine (CID 174261076) is (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine.
What is the SMILES notation for (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine?
The canonical SMILES for (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine is C/C=C1/C(C(F)(I)I)=CC=CN1CC.
What is the InChIKey of (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine?
The InChIKey is REJPYSBTIFJDMU-OQFOIZHKSA-N. The full InChI is InChI=1S/C10H12FI2N/c1-3-9-8(10(11,12)13)6-5-7-14(9)4-2/h3,5-7H,4H2,1-2H3/b9-3-.
What are the key properties of (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine?
(2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine has a molecular weight of 419.02 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine is sourced from PubChem (CID 174261076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).