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
0.9744 -1.9019 3.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6232 -1.3106 2.4313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2509 -0.6809 1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 0.1815 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7631 0.8080 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4831 0.5864 -1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3081 -0.2372 -0.5126 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0029 -0.8626 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9202 1.2328 -2.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2676 -2.3629 4.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0855 0.3308 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4569 1.4779 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6533 -1.5312 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0264 1.4236 -2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7080 0.6281 -3.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4195 2.2182 -2.5136 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