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
1.3158 0.1185 3.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9804 0.0989 2.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6522 0.0661 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8367 -0.9627 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2980 -0.9420 -0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 0.0912 -1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6581 1.1333 -0.4842 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1651 1.1262 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2648 0.1627 -2.5951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6492 0.1188 4.9328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4503 -1.8011 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4755 -1.7824 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3307 1.9415 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0019 -0.4905 -3.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4362 1.2262 -2.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3571 -0.1046 -2.2363 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