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
3.9832 -0.2694 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7737 -0.1707 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3601 -0.0345 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5409 -1.1439 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8417 -1.0063 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3830 0.2276 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5603 1.2929 -0.3413 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7673 1.1926 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8415 0.4821 -0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0348 -0.3367 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9256 -2.1390 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4900 -1.8613 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3467 2.1036 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0230 1.0283 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2342 1.1377 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3584 -0.5030 -0.5132 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