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
2.4471 0.8225 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7347 -0.0355 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3249 -0.2074 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3951 0.5408 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7620 0.3482 0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4599 -0.5725 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -1.2862 -0.8687 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4060 -1.1383 -1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0696 1.4897 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5332 0.9049 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2422 -0.6693 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1011 1.2932 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3224 0.9506 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5335 -0.6989 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1522 -1.7418 -1.7471 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