(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane

C13H20ClN — CID 145048942

IUPAC(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane
SMILESC.C=c1c(Cl)ncc/c1=C/C=C\C.CC
InChIInChI=1S/C10H10ClN.C2H6.CH4/c1-3-4-5-9-6-7-12-10(11)8(9)2;1-2;/h3-7H,2H2,1H3;1-2H3;1H4/b4-3-,9-5-;;
InChIKeyGQOXZWUBTAROSJ-IIDNWOPXSA-N
MW225.76 g/mol
LogP3.16
Rot. Bonds1

About (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane

(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane (PubChem CID 145048942) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane.

Molecular Properties

Compound Name(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane
PubChem CID145048942
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane
SMILESC.C=c1c(Cl)ncc/c1=C/C=C\C.CC
InChIInChI=1S/C10H10ClN.C2H6.CH4/c1-3-4-5-9-6-7-12-10(11)8(9)2;1-2;/h3-7H,2H2,1H3;1-2H3;1H4/b4-3-,9-5-;;
InChIKeyGQOXZWUBTAROSJ-IIDNWOPXSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.16
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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Related Compounds

(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine
CID 145414439
(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
CID 145143816
2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
1-Chloro-6,7-dihydroisoquinoline
CID 123525909
3-Chloro-4-ethylidene-5-methylidenepyridine
CID 123707183
(3E,4Z)-4-(2-chloroprop-2-enylidene)-3-ethylidene-2-methylpyridine
CID 123946891
2-chloro-6-ethyl-3H-azepine
CID 123959817
5-ethenyl-N,4-dimethyl-2-methylidenehepta-4,6-dienimidoyl chloride
CID 132223270
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
CID 132264479
(3E,4Z)-3,4-di(ethylidene)pyridine;ethane
CID 142094935
butane;(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
CID 142140525

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane?
The IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane (CID 145048942) is (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane.
What is the SMILES notation for (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane?
The canonical SMILES for (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane is C.C=c1c(Cl)ncc/c1=C/C=C\C.CC.
What is the InChIKey of (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane?
The InChIKey is GQOXZWUBTAROSJ-IIDNWOPXSA-N. The full InChI is InChI=1S/C10H10ClN.C2H6.CH4/c1-3-4-5-9-6-7-12-10(11)8(9)2;1-2;/h3-7H,2H2,1H3;1-2H3;1H4/b4-3-,9-5-;;.
What are the key properties of (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane?
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane has a molecular weight of 225.76 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine;ethane;methane is sourced from PubChem (CID 145048942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).