3-chloro-4-ethylidene-5-methylidenepyridine

C8H8ClN — CID 123707183

IUPAC3-chloro-4-ethylidene-5-methylidenepyridine
SMILESC=c1cncc(Cl)c1=CC
InChIInChI=1S/C8H8ClN/c1-3-7-6(2)4-10-5-8(7)9/h3-5H,2H2,1H3
InChIKeyHEACCRDYXYPTQX-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.95
Rot. Bonds

About 3-chloro-4-ethylidene-5-methylidenepyridine

3-chloro-4-ethylidene-5-methylidenepyridine (PubChem CID 123707183) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is 3-chloro-4-ethylidene-5-methylidenepyridine.

Molecular Properties

Compound Name3-chloro-4-ethylidene-5-methylidenepyridine
PubChem CID123707183
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name3-chloro-4-ethylidene-5-methylidenepyridine
SMILESC=c1cncc(Cl)c1=CC
InChIInChI=1S/C8H8ClN/c1-3-7-6(2)4-10-5-8(7)9/h3-5H,2H2,1H3
InChIKeyHEACCRDYXYPTQX-UHFFFAOYSA-N
XLogP0.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
CID 171555436
(2E,4Z)-4-chloro-5-fluoro-N,2-dimethyl-3-prop-1-en-2-ylhepta-2,4,6-trien-1-imine
CID 176951444
(3E)-3-(3-methylbut-2-enylidene)-4-methylidenepyridine
CID 88275820
(3E,4Z)-3,4-di(ethylidene)pyridine
CID 88552850
(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine
CID 88971032
(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
1-(2-chloro-6-methylcyclohexa-1,5-dien-1-yl)-N-(methylideneamino)methanimine
CID 90992265
2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
(3E,4Z)-3-ethylidene-4-prop-2-enylidenepyridine
CID 122650904

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethylidene-5-methylidenepyridine?
The IUPAC name of 3-chloro-4-ethylidene-5-methylidenepyridine (CID 123707183) is 3-chloro-4-ethylidene-5-methylidenepyridine.
What is the SMILES notation for 3-chloro-4-ethylidene-5-methylidenepyridine?
The canonical SMILES for 3-chloro-4-ethylidene-5-methylidenepyridine is C=c1cncc(Cl)c1=CC.
What is the InChIKey of 3-chloro-4-ethylidene-5-methylidenepyridine?
The InChIKey is HEACCRDYXYPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN/c1-3-7-6(2)4-10-5-8(7)9/h3-5H,2H2,1H3.
What are the key properties of 3-chloro-4-ethylidene-5-methylidenepyridine?
3-chloro-4-ethylidene-5-methylidenepyridine has a molecular weight of 153.61 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethylidene-5-methylidenepyridine is sourced from PubChem (CID 123707183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).