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
-2.2622 1.1022 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6721 -0.0572 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2317 -0.1817 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3144 -1.4325 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6909 -1.5344 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4411 -0.4639 0.0621 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9504 0.7687 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5613 0.9124 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7899 2.0465 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3521 1.1235 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2816 -0.9394 -0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2788 -2.3157 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1081 -2.5321 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6103 1.5999 0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1918 1.9036 0.3623 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