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
    3.9511   -0.3421   -0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556   -0.2082   -0.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141   -0.0587   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -1.1617   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8459   -0.9868    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789    0.2787    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5671    1.3470    0.1024 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7520    1.1991   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382    0.5418    0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0085   -0.4632   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9612   -2.1485   -0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5278   -1.8252    0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    2.0485   -0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918    1.4361    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2934   -0.3772    0.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2568    0.7203   -0.7450 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