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
-2.5011 -0.7337 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7569 0.3574 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3077 0.3143 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4254 -0.8463 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8143 -0.8029 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4770 0.4019 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7490 1.5292 0.0335 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4064 1.5120 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1146 -1.7424 -0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5987 -0.6680 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2676 1.3059 0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1000 -1.8147 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3853 -1.7208 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5709 0.4754 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1816 2.4328 0.0621 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