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
-1.5572 -1.6635 -3.2685 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1125 -1.1490 -2.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5973 -0.5158 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4453 -1.0478 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9476 -0.4489 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4221 0.7505 1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5831 1.2781 0.4516 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 0.7018 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9828 1.3871 2.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 -2.1597 -4.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8426 -1.9997 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7677 -0.8856 1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9044 1.1383 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.7813 2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2037 1.4699 3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3813 2.3630 2.1115 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