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

C10H10ClN — CID 132264479

IUPAC(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
SMILESC/C=C\C=C/1\C=CN=C(C1=C)Cl
InChIInChI=1S/C10H10ClN/c1-3-4-5-9-6-7-12-10(11)8(9)2/h3-7H,2H2,1H3/b4-3-,9-5-
InChIKeyCLWVMKTZVTYNOE-YSXYLNKBSA-N
MW179.64 g/mol
LogP2.90
Rot. Bonds1

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

(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine (PubChem CID 132264479) has the molecular formula C10H10ClN and a molecular weight of 179.64 g/mol. Its IUPAC name is (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine.

Molecular Properties

Compound Name(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
PubChem CID132264479
Molecular FormulaC10H10ClN
Molecular Weight179.64 g/mol
Exact Mass179.05
IUPAC Name(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
SMILESC/C=C\C=C/1\C=CN=C(C1=C)Cl
InChIInChI=1S/C10H10ClN/c1-3-4-5-9-6-7-12-10(11)8(9)2/h3-7H,2H2,1H3/b4-3-,9-5-
InChIKeyCLWVMKTZVTYNOE-YSXYLNKBSA-N
XLogP2.90
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity306

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.64
LogP ≤ 52.90
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)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine?
The IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine (CID 132264479) is (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine.
What is the SMILES notation for (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine?
The canonical SMILES for (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine is C/C=C\C=C/1\C=CN=C(C1=C)Cl.
What is the InChIKey of (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine?
The InChIKey is CLWVMKTZVTYNOE-YSXYLNKBSA-N. The full InChI is InChI=1S/C10H10ClN/c1-3-4-5-9-6-7-12-10(11)8(9)2/h3-7H,2H2,1H3/b4-3-,9-5-.
What are the key properties of (4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine?
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine has a molecular weight of 179.64 g/mol, XLogP of 2.90, 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 is sourced from PubChem (CID 132264479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).