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
3.6944 -1.3605 0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5758 -0.9778 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2415 -0.4949 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8249 0.7723 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4818 1.1664 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3689 0.3057 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9204 -0.9269 -0.6439 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3409 -1.3354 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7640 0.7357 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6969 -1.6862 0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5153 1.4305 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7919 2.1752 0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6641 -2.3398 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7231 1.1357 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0911 1.5593 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4125 -0.1593 -0.6330 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