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
2.7760 -0.3102 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8749 0.6246 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4306 0.3822 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1331 -0.8727 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5123 -1.0661 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3645 0.0120 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7705 1.2599 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4391 1.4099 0.1171 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8198 -0.0418 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4657 -1.3391 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2011 1.6758 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4895 -1.7299 -0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 -2.0442 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4484 -0.0837 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4227 2.1234 0.2155 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