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

C9H10ClN — CID 144503751

IUPAC(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine
SMILESC/C=c1/ccnc(Cl)/c1=C/C
InChIInChI=1S/C9H10ClN/c1-3-7-5-6-11-9(10)8(7)4-2/h3-6H,1-2H3/b7-3-,8-4+
InChIKeyXKEJXJCJWVRANV-KYPMKJFLSA-N
MW167.64 g/mol
LogP1.34
Rot. Bonds

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

(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine (PubChem CID 144503751) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine.

Molecular Properties

Compound Name(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine
PubChem CID144503751
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine
SMILESC/C=c1/ccnc(Cl)/c1=C/C
InChIInChI=1S/C9H10ClN/c1-3-7-5-6-11-9(10)8(7)4-2/h3-6H,1-2H3/b7-3-,8-4+
InChIKeyXKEJXJCJWVRANV-KYPMKJFLSA-N
XLogP1.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.34
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 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
(3E)-3-(3-methylbut-2-enylidene)-4-methylidenepyridine
CID 88275820
(3E,4Z)-3,4-di(ethylidene)pyridine
CID 88552850
3,4-diethyl-2H-pyridin-2-ide;nickel
CID 88771141
(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepyridine
CID 89028792
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
CID 89057468
(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine
CID 89125599
3-Ethylidene-4-methylidenepyridine
CID 90871730
2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimidoyl chloride
CID 118086288
(3E,4Z)-3-ethylidene-4-prop-2-enylidenepyridine
CID 122650904

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine?
The IUPAC name of (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine (CID 144503751) is (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine.
What is the SMILES notation for (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine?
The canonical SMILES for (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine is C/C=c1/ccnc(Cl)/c1=C/C.
What is the InChIKey of (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine?
The InChIKey is XKEJXJCJWVRANV-KYPMKJFLSA-N. The full InChI is InChI=1S/C9H10ClN/c1-3-7-5-6-11-9(10)8(7)4-2/h3-6H,1-2H3/b7-3-,8-4+.
What are the key properties of (3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine?
(3E,4Z)-2-chloro-3,4-di(ethylidene)pyridine has a molecular weight of 167.64 g/mol, XLogP of 1.34, 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 is sourced from PubChem (CID 144503751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).