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
-2.5091 0.2565 0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7463 -0.3380 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3098 -0.2007 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3907 0.5449 0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7904 0.6100 0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4586 -0.0628 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7637 -0.7984 -1.2965 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4311 -0.8609 -1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5895 0.1105 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0411 0.8636 1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2472 -0.9641 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1053 1.0948 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3030 1.2049 1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5449 0.0010 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1341 -1.4613 -1.9212 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