(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine

C12H11ClFN — CID 171555436

IUPAC(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
SMILESC=Cc1c(F)ncc(=C/C(=C)Cl)/c1=C\C
InChIInChI=1S/C12H11ClFN/c1-4-10-9(6-8(3)13)7-15-12(14)11(10)5-2/h4-7H,2-3H2,1H3/b9-6-,10-4+
InChIKeyVIPQEKLDHZLEBJ-WFNCLBMMSA-N
MW223.68 g/mol
LogP2.20
Rot. Bonds2

About (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine

(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine (PubChem CID 171555436) has the molecular formula C12H11ClFN and a molecular weight of 223.68 g/mol. Its IUPAC name is (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine.

Molecular Properties

Compound Name(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
PubChem CID171555436
Molecular FormulaC12H11ClFN
Molecular Weight223.68 g/mol
Exact Mass223.06
IUPAC Name(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
SMILESC=Cc1c(F)ncc(=C/C(=C)Cl)/c1=C\C
InChIInChI=1S/C12H11ClFN/c1-4-10-9(6-8(3)13)7-15-12(14)11(10)5-2/h4-7H,2-3H2,1H3/b9-6-,10-4+
InChIKeyVIPQEKLDHZLEBJ-WFNCLBMMSA-N
XLogP2.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine?
The IUPAC name of (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine (CID 171555436) is (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine.
What is the SMILES notation for (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine?
The canonical SMILES for (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine is C=Cc1c(F)ncc(=C/C(=C)Cl)/c1=C\C.
What is the InChIKey of (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine?
The InChIKey is VIPQEKLDHZLEBJ-WFNCLBMMSA-N. The full InChI is InChI=1S/C12H11ClFN/c1-4-10-9(6-8(3)13)7-15-12(14)11(10)5-2/h4-7H,2-3H2,1H3/b9-6-,10-4+.
What are the key properties of (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine?
(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine has a molecular weight of 223.68 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine is sourced from PubChem (CID 171555436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).