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
    3.6657    1.4777    0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593    1.0072    0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2455    0.4336    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1670    0.9471    0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    0.3858    0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2016   -0.6760   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -1.1460   -0.9493 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1057   -0.6294   -0.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693   -1.2239   -0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6398    1.8912    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2648    1.7743    1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9325    0.7772    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9887   -0.9762   -1.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0988   -1.1484    0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4913   -2.2727   -0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1608   -0.6213   -1.2117 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