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
-2.6434 0.5220 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7039 -0.3689 -0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2991 -0.0840 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -1.0934 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9808 -0.8644 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4328 0.3499 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5129 1.3053 0.6499 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 1.1017 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4312 1.5036 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6636 0.2751 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0110 -1.3434 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2987 -2.0429 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7336 -1.6430 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4875 0.4794 0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5201 1.9030 0.5910 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