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
3.6941 -0.3620 -1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5590 -0.2591 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2254 -0.1324 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9176 0.5845 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3819 0.6884 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3543 0.0328 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0302 -0.6684 -0.7134 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2224 -0.7845 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7827 0.1003 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6867 -0.4635 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7070 1.0787 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6097 1.2652 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4756 -1.3540 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8476 0.6636 1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1286 -0.9672 0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3530 0.5776 0.0080 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