Monomers
3-Vinylpyridine
Identifiers
IUPAC name
3-ethenylpyridine
InchI
InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2
InchI Key
DPZYLEIWHTWHCU-UHFFFAOYSA-N
SMILES
C=Cc1cccnc1
Canonical SMILES
C=CC1=CN=CC=C1
Isomeric SMILES
C=CC1=CN=CC=C1
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
-2.6834 0.2849 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6648 -0.5262 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2843 -0.1365 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7673 -1.0219 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0844 -0.7086 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3663 0.5598 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3581 1.4334 0.6334 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0636 1.1164 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6847 -0.0613 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6196 1.3017 0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8202 -1.5342 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5341 -2.0070 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8983 -1.4046 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3937 0.8555 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 1.8485 0.5496 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
8 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers