B(C1=CN=C(C=C1)C)(O)O
CAS: 659742-21-9
名称: (6-methyl-3-pyridinyl)boronic acid
SMILES: B(C1=CN=C(C=C1)C)(O)O

Molecular Processing

Molecular formula
C6H8BNO2
Molecular weight
136.95
Exact mass
137.0648
XLogP
-0.93
TPSA
53.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
38.8

Supplementary Information

InChIKey: MZUSCPDSQJSBSY-UHFFFAOYSA-N
同義語
2-METHYLPYRIDINE-5-BORONIC ACIDRefChem:476240689-887-9659742-21-9(6-methylpyridin-3-yl)boronic Acid6-Methylpyridine-3-boronic acid2-Picoline-5-boronic acid2-Methyl-5-pyridinylboronic acid6-Methylpyridin-3-ylboronic acidMFCD06801736(6-methyl-3-pyridyl)boronic acid(6-methyl-3-pyridinyl)boronic acidBoronic acid, (6-methyl-3-pyridinyl)-2-Methyl-5-boronic acidSCHEMBL1165846-methyl-3-pyridineboronic acidSCHEMBL29580407DTXSID009844572-methyl-pyridine-5-boronic acidMZUSCPDSQJSBSY-UHFFFAOYSA-N(6-methylpyridin-3-yl)boronicAcid(6-methylpyrdin-3-yl)-boronic acidSBB052580(6-methylpyridin-3-yl) boronic acid(6-methylpyridin-3-yl)-boronic acidAKOS000352236AB30208AC-6166CS-W003979NCGC00249570-01
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