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
-2.5687 0.5012 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7285 -0.1105 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3037 -0.0291 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5392 -0.7057 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9023 -0.6671 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4618 0.0308 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 0.6643 1.0971 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2812 0.6547 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3301 1.0924 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6535 0.4309 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1015 -0.6709 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1208 -1.2587 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5721 -1.1899 -1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5530 0.0624 0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3632 1.1951 1.6699 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