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
2.2161 3.3531 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5261 2.3546 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6940 1.1873 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1678 -0.0650 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3759 -1.1857 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9098 -1.1191 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3496 0.1155 0.5273 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5928 1.2212 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 -2.3053 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 4.2129 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 -0.0859 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7646 -2.1531 -0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9826 2.2064 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2068 -3.2210 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3937 -2.4211 -0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5277 -2.0947 1.1433 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