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
-3.3676 -1.6494 -1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3562 -1.1898 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1481 -0.6232 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5414 0.4730 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6219 1.0057 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2027 0.4661 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5871 -0.6007 1.2021 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -1.1368 0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4569 1.0484 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2499 -2.0652 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9949 0.9025 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.8641 -0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0286 -2.0094 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6143 0.6466 2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 2.1475 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2867 0.7206 0.6030 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