(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane

C11H16ClN — CID 144503750

IUPAC(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane
SMILESC/C=c1/ccnc(Cl)/c1=C/C.CC
InChIInChI=1S/C9H10ClN.C2H6/c1-3-7-5-6-11-9(10)8(7)4-2;1-2/h3-6H,1-2H3;1-2H3/b7-3-,8-4+;
InChIKeyNVZRAJVGGSYGAZ-ONANWKRQSA-N
MW197.71 g/mol
LogP2.36
Rot. Bonds

About (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane

(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane (PubChem CID 144503750) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane.

Molecular Properties

Compound Name(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane
PubChem CID144503750
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane
SMILESC/C=c1/ccnc(Cl)/c1=C/C.CC
InChIInChI=1S/C9H10ClN.C2H6/c1-3-7-5-6-11-9(10)8(7)4-2;1-2/h3-6H,1-2H3;1-2H3/b7-3-,8-4+;
InChIKeyNVZRAJVGGSYGAZ-ONANWKRQSA-N
XLogP2.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane?
The IUPAC name of (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane (CID 144503750) is (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane.
What is the SMILES notation for (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane?
The canonical SMILES for (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane is C/C=c1/ccnc(Cl)/c1=C/C.CC.
What is the InChIKey of (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane?
The InChIKey is NVZRAJVGGSYGAZ-ONANWKRQSA-N. The full InChI is InChI=1S/C9H10ClN.C2H6/c1-3-7-5-6-11-9(10)8(7)4-2;1-2/h3-6H,1-2H3;1-2H3/b7-3-,8-4+;.
What are the key properties of (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane?
(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane has a molecular weight of 197.71 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine;ethane is sourced from PubChem (CID 144503750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).