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
2.7171 0.0709 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6441 -0.1210 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2834 -0.0288 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7998 -0.2512 1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1026 -0.1725 0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3808 0.1304 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3329 0.3418 -1.5707 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0356 0.2698 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 0.3115 -1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7108 -0.0012 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8243 -0.3662 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 -0.4856 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9358 -0.3471 1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4040 0.1951 -1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7638 0.4540 -1.8740 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