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
-3.3790 0.8299 -2.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3486 0.5871 -1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1366 0.2768 -0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9879 0.4988 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1942 0.1867 1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2717 -0.3554 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1090 -0.5649 -0.7415 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0361 -0.2670 -1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5571 -0.6945 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2823 1.0239 -2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8281 0.9231 1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3215 0.3590 2.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1289 -0.4538 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4788 -0.4942 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4071 -0.1066 0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7880 -1.7487 1.0984 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