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
3.6657 1.4777 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5593 1.0072 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2455 0.4336 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1670 0.9471 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0570 0.3858 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2016 -0.6760 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1253 -1.1460 -0.9493 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1057 -0.6294 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5693 -1.2239 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6398 1.8912 0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2648 1.7743 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9325 0.7772 1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9887 -0.9762 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0988 -1.1484 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4913 -2.2727 -0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1608 -0.6213 -1.2117 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