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
3.6060 -1.1783 -1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4953 -0.8090 -0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2288 -0.3688 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2354 -1.2244 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9958 -0.8009 0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2029 0.5662 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2391 1.4101 0.0692 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9628 1.0070 -0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 1.1377 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5237 -1.4892 -1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4383 -2.2859 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7871 -1.4686 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7627 1.6616 -0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1783 0.3011 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3547 1.8352 1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9933 1.7064 0.1105 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