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
2.5362 0.4662 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5964 -0.4185 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1714 -0.1765 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3013 0.9850 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6493 1.1200 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4866 0.1200 0.4110 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0888 -1.0422 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 -1.1877 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5602 0.2255 -0.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3314 1.4285 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 -1.3709 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3894 1.7831 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0364 2.0509 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7660 -1.8506 -0.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3902 -2.1328 -0.8029 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