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
3.5205 1.7803 0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4238 1.2724 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1635 0.6776 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7618 -0.4450 0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4573 -1.0287 0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2743 -0.5392 -0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8669 0.5564 -1.1737 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3242 1.1630 -0.9302 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5897 -1.1444 -0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4681 2.2061 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4230 -0.8069 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7642 -1.9017 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5904 2.0458 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5302 -1.5669 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3375 -0.3111 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8551 -1.9577 -0.0867 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