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
-3.1624 1.3007 -1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1976 0.9208 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0482 0.4879 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7632 -0.8513 -0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3417 -1.2645 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1477 -0.2760 0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9007 1.0372 0.8091 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1896 1.4214 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3447 -0.6836 1.7386 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9953 1.6259 -2.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4312 -1.5667 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5554 -2.3311 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4275 2.4686 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2901 -0.3573 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2810 -0.1516 2.7257 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3537 -1.7805 1.9121 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