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
3.2318 2.3608 0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2528 1.6575 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0894 0.8168 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6713 0.3171 -0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4526 -0.4896 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1893 -0.8239 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7614 -0.3273 1.2130 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3259 0.4595 1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4014 -1.6976 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1110 2.9751 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2552 0.5846 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7587 -0.8642 -2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6674 0.8602 2.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7019 -1.8312 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0883 -2.6973 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2512 -1.3006 0.5187 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