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
3.5208 -0.5812 1.8817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4579 -0.3716 1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1629 -0.1341 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8850 -0.6621 -0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3493 -0.4250 -1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3133 0.3176 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0366 0.8296 0.7222 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1723 0.6051 1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6245 0.5380 -1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4438 -0.7668 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6728 -1.2425 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5361 -0.8550 -2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3827 1.0215 2.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3027 -0.2932 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4512 0.5110 -2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0846 1.5086 -0.9091 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