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
2.4391 -0.1365 3.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6995 -0.1042 2.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8074 -0.0747 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6573 -1.1915 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2128 -1.0659 -0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9027 0.1106 -1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 1.1643 -0.2419 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1121 1.0880 0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8479 0.2013 -2.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0802 -0.1460 3.9985 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2058 -2.0989 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3724 -1.9009 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2777 1.9262 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3208 0.0279 -3.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6136 -0.5953 -2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2829 1.2203 -2.2346 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