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
2.8853 -2.0875 -2.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9893 -1.1410 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2793 -0.3652 -0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2943 0.3223 0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0600 0.8975 1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0903 0.5694 0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1125 -0.0062 -0.5401 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 -0.4325 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5252 1.0554 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3616 -2.5709 -2.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2293 0.3566 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0977 1.3323 2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0650 -1.1838 -1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9121 1.5903 0.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1112 0.0533 1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3188 1.6098 1.8357 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