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
3.5124 0.8545 -1.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4585 0.5654 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2087 0.2116 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 1.1678 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7760 0.8328 0.8331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2173 -0.4755 0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4481 -1.4075 0.2201 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7243 -1.0894 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5096 -0.8527 1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4406 1.0977 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7774 2.1979 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3890 1.5893 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3625 -1.8339 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1443 -1.3564 0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3774 -1.5685 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0503 0.0670 1.7382 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