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
-2.6204 -0.3478 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6554 0.4561 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2684 0.1187 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7204 1.0287 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0192 0.6915 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3909 -0.4913 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3918 -1.3096 0.7457 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 -1.0592 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5349 -1.3041 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6570 -0.0173 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8900 1.4045 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4295 1.9643 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8274 1.3745 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4362 -0.7082 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6701 -1.8006 0.8679 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