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
3.6134 1.3499 -1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4889 0.9509 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2061 0.4934 -0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9623 -0.6483 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2649 -1.1426 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3564 -0.2947 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 0.8265 -0.3304 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0800 1.3112 -0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6929 -0.7829 0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5952 1.7146 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8187 -1.3019 0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4207 -2.0507 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2593 2.2300 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6054 -1.8192 1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4409 -0.7008 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0846 -0.1354 1.6160 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