(3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine

C10H10ClN — CID 142246266

IUPAC(3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine
SMILESC=c1nccc/c1=C/C(Cl)=C\C
InChIInChI=1S/C10H10ClN/c1-3-10(11)7-9-5-4-6-12-8(9)2/h3-7H,2H2,1H3/b9-7-,10-3+
InChIKeyHBLIEOPTDCELQG-NWPUNZMFSA-N
MW179.65 g/mol
LogP1.41
Rot. Bonds1

About (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine

(3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine (PubChem CID 142246266) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine.

Molecular Properties

Compound Name(3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine
PubChem CID142246266
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name(3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine
SMILESC=c1nccc/c1=C/C(Cl)=C\C
InChIInChI=1S/C10H10ClN/c1-3-10(11)7-9-5-4-6-12-8(9)2/h3-7H,2H2,1H3/b9-7-,10-3+
InChIKeyHBLIEOPTDCELQG-NWPUNZMFSA-N
XLogP1.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethylidene-2-(2-methylbut-2-enylidene)pyridine
CID 90959337
(2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine
CID 134386433
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine
CID 142972372
ethane;(2E)-2-ethylidene-3-methylidenepyridine;prop-1-ene
CID 144833891
2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine
CID 155741523
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidenepyridine
CID 130370242
(Z)-N-[3-(1-fluoroethenyl)-2-pyridinyl]ethanimine
CID 145356771
(2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride
CID 91445255
prop-1-ene;quinoline
CID 159640565
2-chloropyridin-3-ol;ethane
CID 144796414
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane
CID 123449612
(2E)-2-(2,3-dimethylbut-2-enylidene)-3-methylidenepyrazine
CID 146437046

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine?
The IUPAC name of (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine (CID 142246266) is (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine.
What is the SMILES notation for (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine?
The canonical SMILES for (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine is C=c1nccc/c1=C/C(Cl)=C\C.
What is the InChIKey of (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine?
The InChIKey is HBLIEOPTDCELQG-NWPUNZMFSA-N. The full InChI is InChI=1S/C10H10ClN/c1-3-10(11)7-9-5-4-6-12-8(9)2/h3-7H,2H2,1H3/b9-7-,10-3+.
What are the key properties of (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine?
(3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine has a molecular weight of 179.65 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-2-chlorobut-2-enylidene]-2-methylidenepyridine is sourced from PubChem (CID 142246266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).