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
3.7164 0.8185 -1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6050 0.5555 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2754 0.2621 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1699 1.0180 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 0.6615 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2293 -0.4652 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 -1.1851 0.9257 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0748 -0.8387 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5972 -0.8068 1.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6890 1.0374 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3188 1.8893 -1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9280 1.2650 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9309 -1.4443 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9238 -1.7254 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3236 -0.0159 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5315 -1.0259 2.2124 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