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
2.3989 2.7926 -1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6445 1.9684 -1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7647 0.9730 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2473 -0.1789 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3737 -1.1231 0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9785 -0.8559 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4709 0.2620 -0.0572 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5945 1.1691 -0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9218 -1.8621 1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0771 3.5106 -1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3152 -0.3829 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7272 -2.0428 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0324 2.0558 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9615 -1.4694 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9333 -2.8048 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6557 -2.0117 2.1029 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