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
3.8655 0.4338 0.8629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7020 0.2848 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3247 0.0878 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5767 1.1215 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7637 0.9098 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3595 -0.3204 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5918 -1.3057 0.1159 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7045 -1.1272 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7875 -0.5715 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9026 0.5595 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0001 2.1061 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 1.6967 -0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 -1.9385 0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4124 -0.5199 0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8955 -1.5840 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1822 0.1672 -1.4336 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