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
-2.4028 0.8020 0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6984 -0.1623 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2586 -0.1431 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4757 -1.1915 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8485 -1.2511 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5306 -0.2649 -0.0185 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8978 0.7760 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 0.8290 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9567 1.6156 0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4940 0.7971 0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1986 -0.9732 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0982 -1.9755 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3759 -2.0833 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4506 1.5598 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 1.6655 0.9702 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