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
3.4506 1.7289 1.7422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0837 1.0198 1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2147 0.5893 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0984 -0.5640 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0511 -1.1527 -0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1576 -0.5161 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2129 0.5450 0.2062 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1855 1.2754 0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4691 -1.0095 -1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9630 1.9962 1.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1569 -0.8992 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0753 -2.0093 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2268 2.0969 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7036 -0.7636 -2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3183 -0.3486 -0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8199 -1.9885 -0.8897 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