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
-2.6927 -0.0370 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6279 -0.5521 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2581 -0.1339 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7913 -0.7741 -0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0688 -0.3358 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3653 0.6978 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3517 1.2990 0.9723 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0606 0.8944 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6944 -0.3922 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6226 0.7789 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8037 -1.3855 -0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5338 -1.5789 -1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8796 -0.8471 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4039 0.9763 0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7556 1.3902 1.2849 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