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
3.9114 -0.6918 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7264 -0.4750 -0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3226 -0.2230 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6786 -0.2534 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -0.0052 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 0.2690 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 0.2891 -1.5177 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6025 0.0538 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8665 0.5412 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9647 -0.9018 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2071 -0.4670 1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2400 -0.0174 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0643 0.0915 -2.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0462 1.1151 0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1046 1.0992 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4168 -0.4243 -0.3526 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