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
2.3659 -0.8646 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6779 0.0726 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2415 0.1447 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4584 -0.7129 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 -0.6450 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4944 0.3388 0.1574 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 1.2280 -0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4843 1.1572 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4388 -0.8988 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9762 -1.6279 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2112 0.7969 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0227 -1.5190 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3607 -1.3551 1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4414 2.0088 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0044 1.8765 -1.4226 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