Monomers
5-Ethynyl-2-methylpyridine
Identifiers
IUPAC name
5-ethynyl-2-methylpyridine
InchI
InChI=1S/C8H7N/c1-3-8-5-4-7(2)9-6-8/h1,4-6H,2H3
InchI Key
NKVINJAPLKEYQS-UHFFFAOYSA-N
SMILES
C#Cc1ccc(nc1)C
Canonical SMILES
CC1=NC=C(C=C1)C#C
Isomeric SMILES
CC1=NC=C(C=C1)C#C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7N
Heavy Atom Count
9
Molecular Weight
117.151
Exact Molecular Weight
117.0578
Valence Electrons
44
Radical Electrons
0
tPSA
12.89
MolLogP
1.3713
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
16 16 0 0 0 0 0 0 0 0999 V2000
3.6184 -0.9405 1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5305 -0.6370 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2443 -0.2606 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3484 -1.2097 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8728 -0.8322 -0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2381 0.4942 -0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3631 1.4000 -0.0357 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8368 1.0563 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5657 0.9383 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5718 -1.2135 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6314 -2.2408 0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5794 -1.5528 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5497 1.7912 0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4594 1.3899 -2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0015 1.7343 -0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2512 0.0829 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
8 3 1 0
1 10 1 0
4 11 1 0
5 12 1 0
8 13 1 0
9 14 1 0
9 15 1 0
9 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers