Monomers
4-Vinylpyridine
Identifiers
IUPAC name
4-ethenylpyridine
InchI
InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
InchI Key
KFDVPJUYSDEJTH-UHFFFAOYSA-N
SMILES
C=Cc1ccncc1
Canonical SMILES
C=CC1=CC=NC=C1
Isomeric SMILES
C=CC1=CC=NC=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
-2.3052 -1.0002 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6666 -0.1388 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2309 0.0980 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5769 -0.5569 -0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9371 -0.3332 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4658 0.5743 -0.0038 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7048 1.2314 0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3482 1.0281 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8226 -1.5875 -1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3799 -1.1143 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2368 0.4137 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1540 -1.2984 -1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5647 -0.8611 -1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1537 1.9736 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2633 1.5713 1.7473 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
7 14 1 0
8 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers