[(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium

C10H12ClN2+ — CID 10059764

IUPAC[(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium
SMILESC[N+](C)=C/C=C(\Cl)c1cccnc1
InChIInChI=1S/C10H12ClN2/c1-13(2)7-5-10(11)9-4-3-6-12-8-9/h3-8H,1-2H3/q+1
InChIKeyBQYVGPQJNSORSF-UHFFFAOYSA-N
MW195.67 g/mol
LogP2.00
Rot. Bonds2

About [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium

[(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium (PubChem CID 10059764) has the molecular formula C10H12ClN2+ and a molecular weight of 195.67 g/mol. Its IUPAC name is [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium
PubChem CID10059764
Molecular FormulaC10H12ClN2+
Molecular Weight195.67 g/mol
Exact Mass195.07
IUPAC Name[(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium
SMILESC[N+](C)=C/C=C(\Cl)c1cccnc1
InChIInChI=1S/C10H12ClN2/c1-13(2)7-5-10(11)9-4-3-6-12-8-9/h3-8H,1-2H3/q+1
InChIKeyBQYVGPQJNSORSF-UHFFFAOYSA-N
XLogP2.00
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-dimethylazanium
CID 93012319
3-chloro-3-pyridin-3-ylprop-2-enenitrile
CID 74864132
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
bis(N-methylpyridine-3-carboximidoyl chloride);dihydroiodide
CID 173104208
3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine
CID 141461205
1-pyridin-3-ylethanethione
CID 11815891
(111C)methyl pyridine-3-carboxylate
CID 11309537
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
CID 175154223
CID 175154223
3-[(2E,4E,6E)-7-chloro-4-methoxyocta-2,4,6-trien-3-yl]pyridine
CID 142369519
3-(dimethylamino)-3-pyridin-3-ylprop-2-enal
CID 173045135

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium (CID 10059764) is [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium is C[N+](C)=C/C=C(\Cl)c1cccnc1.
What is the InChIKey of [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium?
The InChIKey is BQYVGPQJNSORSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN2/c1-13(2)7-5-10(11)9-4-3-6-12-8-9/h3-8H,1-2H3/q+1.
What are the key properties of [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium?
[(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium has a molecular weight of 195.67 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloro-3-pyridin-3-ylprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 10059764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).