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
3.8849 -0.5873 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7133 -0.3601 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3188 -0.0920 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5201 -1.1079 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8129 -0.8296 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3633 0.4161 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5610 1.3973 -0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 1.1519 -0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8113 0.6071 0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9145 -0.7943 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9478 -2.0970 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4408 -1.6387 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4199 1.9372 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1466 1.4800 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3812 -0.3210 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9638 0.8382 1.5428 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