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
2.6788 0.3355 -0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6699 -0.4410 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2901 -0.1223 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 -0.9781 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.6897 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4022 0.4627 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3932 1.2775 0.8557 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0921 1.0176 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 1.2710 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7145 0.0619 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8583 -1.3607 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.8737 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8799 -1.3514 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4420 0.6819 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6919 1.7087 0.8768 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