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
2.2551 2.4190 2.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 1.6897 1.5628 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8017 0.8335 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2816 0.1227 1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0171 -0.6889 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6887 -0.8087 -0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3670 -0.1147 -1.4373 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0913 0.6801 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4939 -1.6857 -1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8415 3.0446 2.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5217 0.2344 2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8532 -1.2242 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9432 1.2424 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1594 -2.3211 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0910 -1.0710 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7883 -2.3521 -2.3948 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