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
cid=

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
   -1.9179    2.3249    2.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3274    1.6567    1.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6299    0.8544    0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6856   -0.5361    0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0164   -1.3086   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7218   -0.6686   -1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633    0.6655   -1.0190 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1237    1.4478   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606   -1.4876   -2.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4185    2.9159    3.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -1.0081    1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0364   -2.3851   -0.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705    2.5284   -0.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0463   -1.3180   -3.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.1465   -2.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824   -2.5352   -1.7452 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