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
3.3811 -0.2290 -2.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3750 -0.1165 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1882 -0.0066 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1063 -0.8633 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0272 -0.7457 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 0.2302 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0639 1.0450 1.0266 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0580 0.9531 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 0.3340 1.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2523 -0.3088 -2.7903 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2183 -1.6148 -1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8506 -1.4315 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8858 1.6508 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1945 0.7638 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1925 1.0109 2.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6692 -0.6717 2.0822 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