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
2.5386 -0.2942 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 0.5812 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1730 0.2215 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 -1.0559 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 -1.2927 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4986 -0.3126 0.1728 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1346 0.9479 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7835 1.1993 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5820 0.0009 -0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3825 -1.3233 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8489 1.6012 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4602 -1.8673 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8894 -2.3062 0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9037 1.6910 -0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4970 2.2091 -0.4728 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