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
3.7819 0.2320 -1.2982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6408 0.1343 -0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2744 0.0002 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3712 1.0293 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9392 0.9095 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2809 -0.2419 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3671 -1.2227 0.6582 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8871 -1.1283 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6791 -0.4141 0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7977 0.3251 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6561 1.9203 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6639 1.6904 -0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6319 -1.9129 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7344 -1.3047 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0031 0.4648 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3735 -0.4811 0.0781 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