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
2.4636 0.9789 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7525 0.0088 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3282 -0.2061 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4557 0.5934 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8171 0.3532 0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4282 -0.7116 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6519 -1.4771 -0.6519 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3418 -1.2690 -0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5129 1.1080 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9904 1.6896 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2638 -0.6827 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0221 1.4422 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4141 1.0020 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4793 -0.9225 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2547 -1.9072 -1.4872 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