Monomers

5-Ethynyl-2-methylpyridine

Identifiers

IUPAC name
5-ethynyl-2-methylpyridine
InchI
InChI=1S/C8H7N/c1-3-8-5-4-7(2)9-6-8/h1,4-6H,2H3
InchI Key
NKVINJAPLKEYQS-UHFFFAOYSA-N
SMILES
C#Cc1ccc(nc1)C
Canonical SMILES
CC1=NC=C(C=C1)C#C
Isomeric SMILES
CC1=NC=C(C=C1)C#C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H7N
Heavy Atom Count
9
Molecular Weight
117.151
Exact Molecular Weight
117.0578
Valence Electrons
44
Radical Electrons
0
tPSA
12.89
MolLogP
1.3713
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.6792    3.3760   -1.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1873    2.3575   -0.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    1.1319   -0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2732    0.3590   -1.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8301   -0.8019   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4932   -1.1933    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3888   -0.4426    1.3239 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9354    0.6867    0.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1073   -2.4112    1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533    4.3127   -1.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319    0.6690   -2.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301   -1.3888   -1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456    1.2988    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -2.6104    2.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1261   -3.2793    0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1515   -2.0640    1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  8  3  1  0
  1 10  1  0
  4 11  1  0
  5 12  1  0
  8 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers