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
3.7793 0.5243 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6419 0.3378 1.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2718 0.1077 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6100 1.0168 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7036 0.7840 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3514 -0.3615 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7014 -1.2398 0.6228 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5840 -1.0244 1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7501 -0.5567 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7799 0.6785 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1426 1.9183 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1706 1.5336 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0987 -1.7353 1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9986 -1.6482 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7578 -0.3771 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4745 0.0420 -0.0637 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