Monomers
2-Vinylpyridine
Identifiers
IUPAC name
2-ethenylpyridine
InchI
InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2
InchI Key
KGIGUEBEKRSTEW-UHFFFAOYSA-N
SMILES
C=Cc1ccccn1
Canonical SMILES
C=CC1=CC=CC=N1
Isomeric SMILES
C=CC1=CC=CC=N1
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
-2.6442 0.7282 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8587 -0.0766 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4448 -0.1817 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1731 0.5467 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5438 0.4073 0.9134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3230 -0.4670 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6637 -1.1827 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3532 -1.0368 -1.0200 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2919 1.3524 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6924 0.7941 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2947 -0.6944 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4129 1.2524 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9623 1.0174 1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3789 -0.5738 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2419 -1.8856 -1.3679 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
6 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers