2-methylpyrimidin-4-ylboronic acid

2-methylpyrimidin-4-ylboronic acid

CAS: 647853-31-4

Formula: C5H7BN2O2

SMILES: CC1=NC=CC(=N1)B(O)O

IUPAC: (2-methylpyrimidin-4-yl)boronic acid

InChI: InChI=1S/C5H7BN2O2/c1-4-7-3-2-5(8-4)6(9)10/h2-3,9-10H,1H3

Composition: C (43.54%), H (5.12%), B (7.84%), N (20.31%), O (23.20%)

Molar Mass: 137.93

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	138.060057
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ARAPPZBNPJIAQG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.21
Topological Polar Surface Area	66.24
Polarizability	13.55
Ring Count	1
Rotatable Bond Count	1

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