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
3.8352 1.0827 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6803 0.7486 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2892 0.3716 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6561 -0.1362 -1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6868 -0.4940 -1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3730 -0.3476 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6921 0.1609 1.1301 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5960 0.5192 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8044 -0.7207 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8685 1.3775 -0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1507 -0.2690 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1941 -0.8934 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1448 0.9261 1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9885 -1.2416 1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3944 0.2203 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0875 -1.3044 -0.6534 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