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
-2.5190 0.6878 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7283 -0.0602 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2871 -0.1804 -0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3868 0.4812 0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7516 0.3730 0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4422 -0.4560 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7954 -1.1306 -0.9628 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4674 -1.0073 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5780 0.7568 0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0921 1.2549 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2254 -0.6194 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1233 1.1386 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2910 0.8943 1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5031 -0.6072 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0842 -1.5256 -1.9042 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