Monomers
3-Vinylpyridine
Identifiers
IUPAC name
3-ethenylpyridine
InchI
InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2
InchI Key
DPZYLEIWHTWHCU-UHFFFAOYSA-N
SMILES
C=Cc1cccnc1
Canonical SMILES
C=CC1=CN=CC=C1
Isomeric SMILES
C=CC1=CN=CC=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
-2.6464 0.5598 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6409 -0.0796 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2885 -0.0219 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7114 -0.7374 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0189 -0.7335 -0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3588 0.0028 0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3852 0.6877 1.3825 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0976 0.6881 0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6609 0.5202 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4606 1.1562 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8666 -0.6681 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4456 -1.3128 -1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7560 -1.3174 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3934 -0.0089 1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6030 1.2649 1.5350 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
8 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers