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
3.7650 -0.8022 1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6277 -0.5713 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2657 -0.3130 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4970 0.5162 1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8055 0.7430 0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3221 0.1678 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5183 -0.6563 -1.1436 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7486 -0.8915 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7202 0.4468 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7627 -1.0126 1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8383 0.9985 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4695 1.4019 1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4104 -1.5437 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1631 -0.5441 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6734 1.1292 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2433 0.9313 0.0099 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