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
3.7685 -0.6559 0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6334 -0.4724 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2645 -0.2760 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 0.8248 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7641 0.9962 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2994 0.0490 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 -1.0103 -1.0761 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6892 -1.2001 -0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7000 0.2568 -1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7613 -0.8251 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9907 1.5708 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3374 1.8381 0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 -2.0742 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3477 0.3205 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7716 1.2206 -1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0876 -0.5629 -1.7467 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