Name: 2-but-1-ynyl-4-methoxypyridine
SMILES:
CCC#CC1=NC=CC(=C1)OCMolecular Processing
Molecular formula
C10H11NO
Molecular weight
161.2
Exact mass
161.0841
XLogP
1.85
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
47.96
Supplementary Information
InChIKey: IVGWBDJRYIBMHK-UHFFFAOYSA-N
Synonyms
SCHEMBL1942977IVGWBDJRYIBMHK-UHFFFAOYSA-N2-(1-butynyl)-4-methoxypyridine
Involved in 7 reactions→