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
3.6884 1.0316 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5510 0.7484 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2166 0.3948 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 -0.9190 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4471 -1.1954 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 -0.1516 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9752 1.1448 0.3764 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2734 1.3908 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7078 -0.5013 0.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6832 1.2936 -1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5880 -1.6954 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7476 -2.2275 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5993 2.4059 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3460 0.4093 0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7305 -0.9541 1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1502 -1.1750 0.1665 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