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
3.6667 -0.7845 1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5473 -0.5227 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2264 -0.2362 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7594 -0.6798 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5171 -0.3913 -1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3102 0.3640 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8375 0.7886 0.7170 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4044 0.5165 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6989 0.7086 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6543 -1.0086 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 -1.2784 -1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8717 -0.7508 -2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.8973 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6501 1.2301 -1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1722 1.3675 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3230 -0.2205 -0.9543 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