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
    3.1495    1.4340    2.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972    1.0173    1.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.5062    0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012   -0.0165    1.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548   -0.4976    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0128   -0.4485   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0439    0.0633   -1.3248 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753    0.5336   -0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961   -0.9900   -1.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9901    1.8017    2.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0143   -0.0467    2.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110   -0.9117    1.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496    0.9563   -1.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622   -1.6088   -2.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7325   -0.1613   -1.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8023   -1.6312   -0.7791 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