(4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine

C11H13ClN2 — CID 171556241

IUPAC(4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine
SMILESC=C(Cl)/C=c1/cnc(N)c(C)/c1=C/C
InChIInChI=1S/C11H13ClN2/c1-4-10-8(3)11(13)14-6-9(10)5-7(2)12/h4-6H,2,13H2,1,3H3/b9-5-,10-4-
InChIKeyPOSYUJBXLLNBCM-BUCNSOSLSA-N
MW208.69 g/mol
LogP1.31
Rot. Bonds1

About (4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine

(4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine (PubChem CID 171556241) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine.

Molecular Properties

Compound Name(4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine
PubChem CID171556241
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine
SMILESC=C(Cl)/C=c1/cnc(N)c(C)/c1=C/C
InChIInChI=1S/C11H13ClN2/c1-4-10-8(3)11(13)14-6-9(10)5-7(2)12/h4-6H,2,13H2,1,3H3/b9-5-,10-4-
InChIKeyPOSYUJBXLLNBCM-BUCNSOSLSA-N
XLogP1.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 51.31
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)-4-ethylidene-3-methylpyridin-2-amine?
The IUPAC name of (4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine (CID 171556241) is (4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine.
What is the SMILES notation for (4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine?
The canonical SMILES for (4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine is C=C(Cl)/C=c1/cnc(N)c(C)/c1=C/C.
What is the InChIKey of (4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine?
The InChIKey is POSYUJBXLLNBCM-BUCNSOSLSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-4-10-8(3)11(13)14-6-9(10)5-7(2)12/h4-6H,2,13H2,1,3H3/b9-5-,10-4-.
What are the key properties of (4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine?
(4E,5E)-5-(2-chloroprop-2-enylidene)-4-ethylidene-3-methylpyridin-2-amine has a molecular weight of 208.69 g/mol, XLogP of 1.31, 1 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)-4-ethylidene-3-methylpyridin-2-amine is sourced from PubChem (CID 171556241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).