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
3.9535 0.1421 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7524 0.1375 -0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3051 0.1306 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7416 0.1341 0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6160 0.1281 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3933 0.1182 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8327 0.1149 -1.2183 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4983 0.1208 -1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8719 0.1114 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0151 0.1475 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3478 0.1418 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1093 0.1305 2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9563 0.1180 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3308 1.0770 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2334 -0.7272 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1827 -0.1022 1.1665 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