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
3.5777 0.1369 1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 0.0716 1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2047 0.0169 0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1180 0.6821 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0890 0.5981 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1760 -0.1611 -0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0882 -0.8050 -1.0455 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1038 -0.7419 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4930 -0.2513 -1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5249 0.2057 2.4011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2600 1.2648 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9451 1.1432 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9215 -1.2902 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5590 0.4503 -2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5781 -1.3176 -1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2866 -0.0026 -0.5962 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