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
1.6792 3.3760 -1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1873 2.3575 -0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 1.1319 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2732 0.3590 -1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8301 -0.8019 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4932 -1.1933 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3888 -0.4426 1.3239 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9354 0.6867 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1073 -2.4112 1.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1533 4.3127 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5319 0.6690 -2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5301 -1.3888 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6456 1.2988 1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5662 -2.6104 2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1261 -3.2793 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1515 -2.0640 1.5349 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