(4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane

C12H15Cl2N — CID 156818757

IUPAC(4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane
SMILESC=C(Cl)/C=c1/cc(Cl)nc/c1=C/C.CC
InChIInChI=1S/C10H9Cl2N.C2H6/c1-3-8-6-13-10(12)5-9(8)4-7(2)11;1-2/h3-6H,2H2,1H3;1-2H3/b8-3-,9-4-;
InChIKeyVQPGHCGKOPOMNW-FLHNYSSYSA-N
MW244.16 g/mol
LogP3.09
Rot. Bonds1

About (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane

(4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane (PubChem CID 156818757) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane.

Molecular Properties

Compound Name(4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane
PubChem CID156818757
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name(4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane
SMILESC=C(Cl)/C=c1/cc(Cl)nc/c1=C/C.CC
InChIInChI=1S/C10H9Cl2N.C2H6/c1-3-8-6-13-10(12)5-9(8)4-7(2)11;1-2/h3-6H,2H2,1H3;1-2H3/b8-3-,9-4-;
InChIKeyVQPGHCGKOPOMNW-FLHNYSSYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.09
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 (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane?
The IUPAC name of (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane (CID 156818757) is (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane.
What is the SMILES notation for (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane?
The canonical SMILES for (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane is C=C(Cl)/C=c1/cc(Cl)nc/c1=C/C.CC.
What is the InChIKey of (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane?
The InChIKey is VQPGHCGKOPOMNW-FLHNYSSYSA-N. The full InChI is InChI=1S/C10H9Cl2N.C2H6/c1-3-8-6-13-10(12)5-9(8)4-7(2)11;1-2/h3-6H,2H2,1H3;1-2H3/b8-3-,9-4-;.
What are the key properties of (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane?
(4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane has a molecular weight of 244.16 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane is sourced from PubChem (CID 156818757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).