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
    3.5777    0.1369    1.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.0716    1.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    0.0169    0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1180    0.6821    1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0890    0.5981    0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -0.1611   -0.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0882   -0.8050   -1.0455 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038   -0.7419   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930   -0.2513   -1.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.2057    2.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2600    1.2648    2.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    1.1432    0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215   -1.2902   -0.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5590    0.4503   -2.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5781   -1.3176   -1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2866   -0.0026   -0.5962 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