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
3.9754 0.3244 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7718 0.2729 0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3402 0.2003 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7473 -0.6465 -0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6386 -0.7363 -0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4269 0.0194 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8563 0.8520 0.7998 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5020 0.9445 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8999 -0.1052 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0500 0.3880 0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3742 -1.2301 -1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0285 -1.4293 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9328 1.6077 1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2311 0.0970 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3998 0.5805 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2129 -1.1394 0.0423 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