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
    3.7164    0.8185   -1.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    0.5555   -0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2754    0.2621   -0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699    1.0180   -0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0910    0.6615   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2293   -0.4652    0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1558   -1.1851    0.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0748   -0.8387    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5972   -0.8068    1.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890    1.0374   -1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188    1.8893   -1.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9280    1.2650   -0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9309   -1.4443    0.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9238   -1.7254    0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3236   -0.0159    0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5315   -1.0259    2.2124 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