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
2.8087 -1.7240 2.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9114 -1.2263 1.6745 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8756 -0.6422 0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0748 0.5678 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1073 1.1405 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0937 0.4925 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 -0.6839 -0.1069 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 -1.2780 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1868 1.0290 -1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5428 -2.1374 2.9523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 1.0853 0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2916 2.0696 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5265 -2.2291 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8852 2.0588 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1865 0.4136 -2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1507 1.0636 -1.0834 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