(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine

C12H13ClN2 — CID 171555247

IUPAC(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine
SMILESC=Cc1c(N)ncc(=C/C(=C)Cl)/c1=C\C
InChIInChI=1S/C12H13ClN2/c1-4-10-9(6-8(3)13)7-15-12(14)11(10)5-2/h4-7H,2-3,14H2,1H3/b9-6-,10-4+
InChIKeyYIKJCPPXAIQQES-WFNCLBMMSA-N
MW220.70 g/mol
LogP1.64
Rot. Bonds2

About (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine

(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine (PubChem CID 171555247) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine.

Molecular Properties

Compound Name(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine
PubChem CID171555247
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine
SMILESC=Cc1c(N)ncc(=C/C(=C)Cl)/c1=C\C
InChIInChI=1S/C12H13ClN2/c1-4-10-9(6-8(3)13)7-15-12(14)11(10)5-2/h4-7H,2-3,14H2,1H3/b9-6-,10-4+
InChIKeyYIKJCPPXAIQQES-WFNCLBMMSA-N
XLogP1.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine?
The IUPAC name of (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine (CID 171555247) is (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine.
What is the SMILES notation for (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine?
The canonical SMILES for (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine is C=Cc1c(N)ncc(=C/C(=C)Cl)/c1=C\C.
What is the InChIKey of (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine?
The InChIKey is YIKJCPPXAIQQES-WFNCLBMMSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-4-10-9(6-8(3)13)7-15-12(14)11(10)5-2/h4-7H,2-3,14H2,1H3/b9-6-,10-4+.
What are the key properties of (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine?
(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine has a molecular weight of 220.70 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine is sourced from PubChem (CID 171555247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).