Monomers
4-Vinylpyridine
Identifiers
IUPAC name
4-ethenylpyridine
InchI
InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
InchI Key
KFDVPJUYSDEJTH-UHFFFAOYSA-N
SMILES
C=Cc1ccncc1
Canonical SMILES
C=CC1=CC=NC=C1
Isomeric SMILES
C=CC1=CC=NC=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
2.4713 0.7749 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6477 -0.2312 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2192 -0.1928 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5517 -1.3272 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9249 -1.3166 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5009 -0.1612 0.3308 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8377 0.9921 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4538 0.9608 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5293 0.6278 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0613 1.7361 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0734 -1.2090 -0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0440 -2.2388 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4841 -2.2282 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2958 1.9289 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0906 1.8845 0.4101 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
7 14 1 0
8 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers