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
3.7241 1.2371 -0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6109 0.8550 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2703 0.4062 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7463 0.4468 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5388 0.0141 1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3431 -0.4764 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8157 -0.5086 -1.0755 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4313 -0.0930 -1.3638 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7434 -0.9540 0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7049 1.5679 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 0.8342 1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9530 0.0442 2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8371 -0.1284 -2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4747 -0.1453 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8501 -1.2981 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9975 -1.8016 -0.2730 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