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
-3.3466 2.1701 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3518 1.4921 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1814 0.6707 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0277 1.1165 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1766 0.3380 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0989 -0.9004 -0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0965 -1.3000 -0.6348 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2193 -0.5729 -0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 -1.7746 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2415 2.7575 0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0577 2.0876 0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1171 0.7041 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1770 -0.8988 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3245 -2.4470 0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2533 -2.2952 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2412 -1.1477 -0.2891 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