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
2.4492 0.3463 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7658 -0.3519 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3309 -0.2390 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4637 0.5932 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8417 0.6690 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4225 -0.1189 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6294 -0.9318 -1.3310 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3012 -1.0058 -1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9719 1.0494 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.2578 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3318 -1.0355 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 1.2091 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4813 1.3168 0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5016 -0.0800 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3032 -1.6787 -1.7554 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