2-methylpyrimidin-5-ylboronic acid

2-methylpyrimidin-5-ylboronic acid

CAS: 1034924-06-5

Formula: C5H7BN2O2

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

IUPAC: (2-methylpyrimidin-5-yl)boronic acid

InChI: InChI=1S/C5H7BN2O2/c1-4-7-2-5(3-8-4)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	BTJLWJOEZRVRNL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.89
Topological Polar Surface Area	66.24
Polarizability	13.54
Ring Count	1
Rotatable Bond Count	1

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