Monomers
2-Vinylpyridine
Identifiers
IUPAC name
2-ethenylpyridine
InchI
InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2
InchI Key
KGIGUEBEKRSTEW-UHFFFAOYSA-N
SMILES
C=Cc1ccccn1
Canonical SMILES
C=CC1=CC=CC=N1
Isomeric SMILES
C=CC1=CC=CC=N1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H7N
Heavy Atom Count
8
Molecular Weight
105.14
Exact Molecular Weight
105.0578
Valence Electrons
40
Radical Electrons
0
tPSA
12.89
MolLogP
1.7246
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
15 15 0 0 0 0 0 0 0 0999 V2000
2.7204 0.3350 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8258 -0.4812 -0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4202 -0.3035 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0876 0.6977 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4495 0.8355 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -0.0778 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8063 -1.0798 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 -1.1894 -0.7767 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4711 1.1603 0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7547 0.1852 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1576 -1.3121 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5892 1.4336 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8193 1.6248 1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4095 -0.0304 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5376 -1.7979 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
4 12 1 0
5 13 1 0
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers