CC1=NC=C(C=C1)C#C
CAS: 1945-85-3
Nombre: 5-ethynyl-2-methylpyridine
SMILES: CC1=NC=C(C=C1)C#C

Molecular Processing

Molecular formula
C8H7N
Molecular weight
117.15
Exact mass
117.0578
XLogP
1.37
TPSA
12.89
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
36.91

Supplementary Information

InChIKey: NKVINJAPLKEYQS-UHFFFAOYSA-N
Sinónimos
5-ethynyl-2-methylpyridine1945-85-3pyridine, 5-ethynyl-2-methyl-DTXSID80348553RefChem:102594DTXCID10299625893-905-2InChI=1/C8H7N/c1-3-8-5-4-7(2)9-6-8/h1,4-6H,2H5-ethynyl-2-methyl-pyridine2-methyl-5-ethynylpyridineMFCD106981382-methyl-5-ethynyl pyridineSCHEMBL503236SCHEMBL16288650NKVINJAPLKEYQS-UHFFFAOYSA-NAKOS012459095BS-50646DB-090925CS-0261503E84351EN300-787605F673102A1-17132
Ver fuente →
Participa en 31 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→