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
   -3.3676   -1.6494   -1.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3562   -1.1898   -0.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1481   -0.6232   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    0.4730   -1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6219    1.0057   -0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    0.4661    0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5871   -0.6007    1.2021 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404   -1.1368    0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569    1.0484    1.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499   -2.0652   -1.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9949    0.9025   -1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.8641   -0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0286   -2.0094    1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143    0.6466    2.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503    2.1475    1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2867    0.7206    0.6030 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