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
3.3342 1.7152 -1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 1.2418 -0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0714 0.6706 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0641 -0.6012 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 -1.1751 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2614 -0.4326 0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2799 0.8151 0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1161 1.3611 -0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5180 -1.0582 1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2513 2.1178 -1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9584 -1.1731 0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0755 -2.1761 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0841 2.3650 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 -1.4505 0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1110 -0.3195 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2871 -1.9006 1.6997 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