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3-methylpyridin-4-ylboronic acid

3-methylpyridin-4-ylboronic acid

CAS: 894808-72-1

Formula: C6H8BNO2

SMILES: CC1=CN=CC=C1B(O)O

IUPAC: (3-methylpyridin-4-yl)boronic acid

InChI: InChI=1S/C6H8BNO2/c1-5-4-8-3-2-6(5)7(9)10/h2-4,9-10H,1H3

Composition: C (52.62%), H (5.89%), B (7.89%), N (10.23%), O (23.37%)

Molar Mass: 136.95

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 137.064809
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KSERCJHSQPNSJM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.49
Topological Polar Surface Area 53.35
Polarizability 14.4
Ring Count 1
Rotatable Bond Count 1

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