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
-2.5639 0.2920 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6040 -0.5166 0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1929 -0.2167 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7666 -1.1359 0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1195 -0.9017 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5276 0.2780 -0.1981 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6695 1.2170 -0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2908 0.9851 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3849 1.2978 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6057 0.0373 -0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8887 -1.4946 0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4121 -2.0880 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8370 -1.6579 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0267 2.1569 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4096 1.7474 -0.8282 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