2-methoxypyrimidin-5-ylboronic acid

2-methoxypyrimidin-5-ylboronic acid

CAS: 628692-15-9

Formula: C5H7BN2O3

SMILES: COC1=NC=C(C=N1)B(O)O

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

InChI: InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3

Composition: C (39.01%), H (4.58%), B (7.02%), N (18.20%), O (31.18%)

Molar Mass: 153.93

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.054972
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YPWAJLGHACDYQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.68
Topological Polar Surface Area	75.47
Polarizability	14.35
Ring Count	1
Rotatable Bond Count	2

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