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
2.1287 -3.1535 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4594 -2.1680 0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7279 -1.1239 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4212 0.0321 1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3189 1.0384 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8013 0.9923 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4911 -0.1180 -1.4038 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2291 -1.1338 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 2.1324 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6679 -3.9159 1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8206 0.0422 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5334 1.8829 1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4618 -2.0160 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7240 2.1477 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9545 3.0668 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 2.2944 -0.7102 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