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
3.8879 0.5185 0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6969 0.3956 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3022 0.2264 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8268 -0.9100 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5138 -1.0166 -0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4259 -0.0145 -0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9323 1.0796 0.3319 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3710 1.2061 0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8727 -0.1587 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8874 0.6394 1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5573 -1.6901 -0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8726 -1.9078 -1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7460 2.1045 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2512 0.8240 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9880 -0.9109 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4192 -0.3854 0.3065 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