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
2.5249 0.5497 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6986 -0.4623 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2457 -0.3578 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3490 0.8585 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7440 0.9535 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4323 -0.2231 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8246 -1.4002 0.2037 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4923 -1.5339 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1668 1.5469 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5984 0.4445 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1807 -1.4338 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2021 1.7849 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2505 1.8925 -0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5282 -0.1362 -0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0037 -2.4834 0.4390 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