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
    3.5828    1.8602   -0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223    1.2591   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625    0.5708   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0564    1.1943   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483    0.5248   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869   -0.8043    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027   -1.3919    0.3875 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -0.7597    0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4718   -1.5640    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    2.3771   -0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0981    2.2459   -0.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    1.0096   -0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1259   -1.2705    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7787   -1.9860   -0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660   -0.8826    0.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3902   -2.3827    0.9955 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