(4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane

C12H17ClN2 — CID 142583554

IUPAC(4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane
SMILESC=C(Cl)/C=c1/cc(N)nc/c1=C/C.CC
InChIInChI=1S/C10H11ClN2.C2H6/c1-3-8-6-13-10(12)5-9(8)4-7(2)11;1-2/h3-6H,2,12H2,1H3;1-2H3/b8-3-,9-4-;
InChIKeyQXTFVDJLBXXMMC-FLHNYSSYSA-N
MW224.73 g/mol
LogP2.02
Rot. Bonds1

About (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane

(4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane (PubChem CID 142583554) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane.

Molecular Properties

Compound Name(4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane
PubChem CID142583554
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name(4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane
SMILESC=C(Cl)/C=c1/cc(N)nc/c1=C/C.CC
InChIInChI=1S/C10H11ClN2.C2H6/c1-3-8-6-13-10(12)5-9(8)4-7(2)11;1-2/h3-6H,2,12H2,1H3;1-2H3/b8-3-,9-4-;
InChIKeyQXTFVDJLBXXMMC-FLHNYSSYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Di(ethylidene)-3-fluoropyridin-2-amine
CID 123974610
1-(8-Chloro-3-methylazocin-4-yl)ethanimine
CID 123910816
(4aZ,6Z,8Z,10E)-cycloocta[c]pyridin-3-amine
CID 139482581
(8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine
CID 142584512
(4Z,5E)-4-[(Z)-but-2-enylidene]-5-[(E)-but-2-enylidene]pyridin-2-amine
CID 143926546
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine;methanamine
CID 143969301
(4Z,5E)-2-chloro-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridine;ethane
CID 156818757
(1Z)-1-[(4E)-4-(1-chloro-2-methylprop-2-enylidene)-3-pyridinylidene]ethanamine
CID 169661403
(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidenepyridin-2-amine
CID 171555247
(4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methanimidoylpyridin-2-amine
CID 171556036
(4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine
CID 171556241
(4Z)-4-[(Z)-but-2-enylidene]-5-ethenylidenepyridin-2-amine
CID 176525250

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane?
The IUPAC name of (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane (CID 142583554) is (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane.
What is the SMILES notation for (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane?
The canonical SMILES for (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane is C=C(Cl)/C=c1/cc(N)nc/c1=C/C.CC.
What is the InChIKey of (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane?
The InChIKey is QXTFVDJLBXXMMC-FLHNYSSYSA-N. The full InChI is InChI=1S/C10H11ClN2.C2H6/c1-3-8-6-13-10(12)5-9(8)4-7(2)11;1-2/h3-6H,2,12H2,1H3;1-2H3/b8-3-,9-4-;.
What are the key properties of (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane?
(4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane has a molecular weight of 224.73 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-(2-chloroprop-2-enylidene)-5-ethylidenepyridin-2-amine;ethane is sourced from PubChem (CID 142583554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).