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
2.4410 -0.6855 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 0.2771 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2240 0.1826 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5797 1.2545 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9433 1.1923 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5113 0.0935 0.1393 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7955 -0.9443 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4087 -0.9103 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5285 -0.6004 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0846 -1.5793 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0946 1.1609 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0780 2.1094 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5682 2.0015 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2916 -1.7891 0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1518 -1.7628 0.7947 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